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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
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1 – 15 of 2,187 results
1

DIBOA, TRC

CAS: 17359-54-5 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 Synonym: (±)-2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one,(±)-DIBOA,2,4-Dihydroxy-1,4-benzoxazin-3-one,2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one SMILES: O=C1C(O)OC2=CC=CC=C2N1O

CAS 17359-54-5
Molecular Weight (g/mol) 181.15
SMILES O=C1C(O)OC2=CC=CC=C2N1O
Synonym (±)-2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one,(±)-DIBOA,2,4-Dihydroxy-1,4-benzoxazin-3-one,2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
Molecular Formula C8H7NO4
2

Brinzolamide, TRC

CAS: 138890-62-7 Molecular Formula: C12 H21 N3 O5 S3 Molecular Weight (g/mol): 383.51 Synonym: Brinzolamide,2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (4R)-,2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (R)-,AL 4862 IUPAC Name: (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide SMILES: CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N

CAS 138890-62-7
Molecular Weight (g/mol) 383.51
SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N
Synonym Brinzolamide,2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (4R)-,2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (R)-,AL 4862
IUPAC Name (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Molecular Formula C12 H21 N3 O5 S3
3

Thalidomide, TRC

CAS: 50-35-1 Molecular Formula: C13 H10 N2 O4 Molecular Weight (g/mol): 258.23 Synonym: Thalidomide,2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione,(±)-Thalidomide,1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline,3-Phthalimidoglutarimide,Celgene,Contergan,Distaval,K 17,Kevadon,Myrin,N-(2,6-Dioxo-3-piperidyl)phthalimide,N-Phthaloylglutamimide,NSC 527179,NSC 66847,Neurosedyn,Pantosediv,Pharmion,Quetimid,Sauramide,Sedalis,Sedoval,Softenil,Softenon,Suaramide,Synovir,Talimol,Talinol,Thaled,Thalomid,α-(N-Phthalimido)glutarimide,α-N-Phthalylglutaramide,α-Phthalimidoglutarimide IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SMILES: O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1

CAS 50-35-1
Molecular Weight (g/mol) 258.23
SMILES O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
Synonym Thalidomide,2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione,(±)-Thalidomide,1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline,3-Phthalimidoglutarimide,Celgene,Contergan,Distaval,K 17,Kevadon,Myrin,N-(2,6-Dioxo-3-piperidyl)phthalimide,N-Phthaloylglutamimide,NSC 527179,NSC 66847,Neurosedyn,Pantosediv,Pharmion,Quetimid,Sauramide,Sedalis,Sedoval,Softenil,Softenon,Suaramide,Synovir,Talimol,Talinol,Thaled,Thalomid,α-(N-Phthalimido)glutarimide,α-N-Phthalylglutaramide,α-Phthalimidoglutarimide
IUPAC Name 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular Formula C13 H10 N2 O4
4

Clozapine, TRC

CAS: 5786-21-0 Molecular Formula: C18 H19 Cl N4 Molecular Weight (g/mol): 326.82 Synonym: 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-,8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,Apo-Clozapine,Asaleptin,Azaleptin,Azaleptine,Cloril,Clozapex,Clozapin,Clozapine,Clozaril,Fazaclo,HF 1854,Iprox,Klozapol,Leponex,Sizopin IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine SMILES: CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24

CAS 5786-21-0
Molecular Weight (g/mol) 326.82
SMILES CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24
Synonym 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-,8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine,Apo-Clozapine,Asaleptin,Azaleptin,Azaleptine,Cloril,Clozapex,Clozapin,Clozapine,Clozaril,Fazaclo,HF 1854,Iprox,Klozapol,Leponex,Sizopin
IUPAC Name 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular Formula C18 H19 Cl N4
5

Paraldehyde, TRC

CAS: 123-63-7 Molecular Formula: C6 H12 O3 Molecular Weight (g/mol): 132.16 Synonym: Paraldehyde,2,4,6-Trimethyl-1,3,5-trioxane,cyclic trimer of acetaldehyde IUPAC Name: 2,4,6-trimethyl-1,3,5-trioxane SMILES: CC1OC(C)OC(C)O1

CAS 123-63-7
Molecular Weight (g/mol) 132.16
SMILES CC1OC(C)OC(C)O1
Synonym Paraldehyde,2,4,6-Trimethyl-1,3,5-trioxane,cyclic trimer of acetaldehyde
IUPAC Name 2,4,6-trimethyl-1,3,5-trioxane
Molecular Formula C6 H12 O3
6

Cyrene, TRC

CAS: 53716-82-8 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.13 Synonym: (1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,Cyrene,Dihydrolevoglucosenone IUPAC Name: (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one SMILES: O=C1CC[C@H]2CO[C@@H]1O2

CAS 53716-82-8
Molecular Weight (g/mol) 128.13
SMILES O=C1CC[C@H]2CO[C@@H]1O2
Synonym (1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,Cyrene,Dihydrolevoglucosenone
IUPAC Name (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one
Molecular Formula C6H8O3
7

9-Aminoacridine, TRC

CAS: 90-45-9 Molecular Formula: C13 H10 N2 Molecular Weight (g/mol): 194.23 Synonym: 9-Acridinamine,Acridine, 9-amino- (8CI),10-Amino-5-azaanthracene,9-Aminoacridine,9AA,Aminacrin,Aminacrine,Izoacridina,Monacrin,NSC 13000,NSC 28747 IUPAC Name: acridin-9-amine SMILES: Nc1c2ccccc2nc3ccccc13

CAS 90-45-9
Molecular Weight (g/mol) 194.23
SMILES Nc1c2ccccc2nc3ccccc13
Synonym 9-Acridinamine,Acridine, 9-amino- (8CI),10-Amino-5-azaanthracene,9-Aminoacridine,9AA,Aminacrin,Aminacrine,Izoacridina,Monacrin,NSC 13000,NSC 28747
IUPAC Name acridin-9-amine
Molecular Formula C13 H10 N2
8

Ampicillin, TRC

CAS: 69-53-4 Molecular Formula: C16 H19 N3 O4 S Molecular Weight (g/mol): 349.4 Synonym: Ampicillin, anhydrous,(2S,5R,6R)-6-[[(2R)-2-Amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O

CAS 69-53-4
Molecular Weight (g/mol) 349.4
SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
Synonym Ampicillin, anhydrous,(2S,5R,6R)-6-[[(2R)-2-Amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula C16 H19 N3 O4 S
9

Dalfampridine, TRC

CAS: 504-24-5 Molecular Formula: C5 H6 N2 Molecular Weight (g/mol): 94.11 Synonym: Pyridine, 4-amino- (8CI),4-Aminopyridine,4-Pyridinylamine,4-Pyridylamine,4AP,Ampyra,Avitrol,Dalfampridine,EL 970,Fampridine,NSC 15041,Neurelan,Phillips 1861,Pymadin,VMI 10-3,p-Aminopyridine,γ-Aminopyridine IUPAC Name: pyridin-4-amine SMILES: Nc1ccncc1

CAS 504-24-5
Molecular Weight (g/mol) 94.11
SMILES Nc1ccncc1
Synonym Pyridine, 4-amino- (8CI),4-Aminopyridine,4-Pyridinylamine,4-Pyridylamine,4AP,Ampyra,Avitrol,Dalfampridine,EL 970,Fampridine,NSC 15041,Neurelan,Phillips 1861,Pymadin,VMI 10-3,p-Aminopyridine,γ-Aminopyridine
IUPAC Name pyridin-4-amine
Molecular Formula C5 H6 N2
10

Tedalinab, TRC

CAS: 916591-01-0 Molecular Formula: C19H21F2N3O Molecular Weight (g/mol): 345.39 Synonym: (4S,7R)-1-(2,4-Difluorophenyl)-N-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-4,7-methano-1H-indazole-3-carboxamide SMILES: CC(C)(C)NC(=O)c1nn(c2[C@@H]3CC[C@@H](C3)c12)c4ccc(F)cc4F

CAS 916591-01-0
Molecular Weight (g/mol) 345.39
SMILES CC(C)(C)NC(=O)c1nn(c2[C@@H]3CC[C@@H](C3)c12)c4ccc(F)cc4F
Synonym (4S,7R)-1-(2,4-Difluorophenyl)-N-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-4,7-methano-1H-indazole-3-carboxamide
Molecular Formula C19H21F2N3O
11

Dapivirine, TRC

CAS: 244767-67-7 Molecular Formula: C20 H19 N5 Molecular Weight (g/mol): 329.4 Synonym: Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-,4-[[4-[(2,4,6-Trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile,AIDS 105293,Dapivirine,R 147681,TMC 120,TMC 120R147681 IUPAC Name: 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile SMILES: Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

CAS 244767-67-7
Molecular Weight (g/mol) 329.4
SMILES Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1
Synonym Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-,4-[[4-[(2,4,6-Trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile,AIDS 105293,Dapivirine,R 147681,TMC 120,TMC 120R147681
IUPAC Name 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
Molecular Formula C20 H19 N5
12

Procymidox, TRC

CAS: 32809-16-8 Molecular Formula: C13 H11 Cl2 N O2 Molecular Weight (g/mol): 284.14 Synonym: Sumilex,3-(3,5-dichlorophenyl)-1,5-dimethyl-1H-pyrrole-2,5-dione IUPAC Name: 3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione SMILES: CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3

CAS 32809-16-8
Molecular Weight (g/mol) 284.14
SMILES CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3
Synonym Sumilex,3-(3,5-dichlorophenyl)-1,5-dimethyl-1H-pyrrole-2,5-dione
IUPAC Name 3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Molecular Formula C13 H11 Cl2 N O2
13

Quinoxaline, TRC

CAS: 91-19-0 Molecular Formula: C8H6N2 Molecular Weight (g/mol): 130.15 Synonym: 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine IUPAC Name: quinoxaline SMILES: c1ccc2nccnc2c1

CAS 91-19-0
Molecular Weight (g/mol) 130.15
SMILES c1ccc2nccnc2c1
Synonym 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine
IUPAC Name quinoxaline
Molecular Formula C8H6N2
14

Piperacetazine, TRC

CAS: 3819-00-9 Molecular Formula: C24 H30 N2 O2 S Molecular Weight (g/mol): 410.57 Synonym: Ethanone, 1-[10-[3-[4-(2-hydroxyethyl)-1-piperidinyl]propyl]-10H-phenothiazin-2-yl]-,Ketone, 10-[3-[4-(2-hydroxyethyl)piperidino]propyl]phenothiazin-2-yl methyl (6CI,7CI,8CI),10-[3-[4-(2-Hydroxyethyl)piperidino]propyl]phenothiazin-2-yl methyl ketone,PC 1421,Piperacetazine,Psymod,Quide,SC 9794,2-Acetyl-10-[3-[4-(beta-hydroxyethyl)piperidino]propyl]phenothiazine IUPAC Name: 1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone SMILES: CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1

CAS 3819-00-9
Molecular Weight (g/mol) 410.57
SMILES CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1
Synonym Ethanone, 1-[10-[3-[4-(2-hydroxyethyl)-1-piperidinyl]propyl]-10H-phenothiazin-2-yl]-,Ketone, 10-[3-[4-(2-hydroxyethyl)piperidino]propyl]phenothiazin-2-yl methyl (6CI,7CI,8CI),10-[3-[4-(2-Hydroxyethyl)piperidino]propyl]phenothiazin-2-yl methyl ketone,PC 1421,Piperacetazine,Psymod,Quide,SC 9794,2-Acetyl-10-[3-[4-(beta-hydroxyethyl)piperidino]propyl]phenothiazine
IUPAC Name 1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone
Molecular Formula C24 H30 N2 O2 S
15

Pazufloxacin, TRC

CAS: 127045-41-4 Molecular Formula: C16 H15 F N2 O4 Molecular Weight (g/mol): 318.3 Synonym: 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-,7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S)-,(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,(-)-(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,Pazufloxacin,T 3761 SMILES: C[C@H]1COc2c3N1C=C(C(=O)O)C(=O)c3cc(F)c2C4(N)CC4

CAS 127045-41-4
Molecular Weight (g/mol) 318.3
SMILES C[C@H]1COc2c3N1C=C(C(=O)O)C(=O)c3cc(F)c2C4(N)CC4
Synonym 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-,7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S)-,(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,(-)-(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,Pazufloxacin,T 3761
Molecular Formula C16 H15 F N2 O4