Pyrimidines And Derivatives
Fursultiamine, TRC
CAS: 804-30-8 Molecular Formula: C17 H26 N4 O3 S2 Molecular Weight (g/mol): 398.54 Synonym: Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]-,Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]-1-butenyl]- (6CI,8CI),Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-butenyl]- (9CI),N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]formamide,Adventan,Alinamin F,Diteftin,Fursultiamin,Fursultiamine,Judolor,Linamin,N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]-1-butenyl]formamide,Retar B1,TTFD,Tetrahydrofurfuryl thiamine disulfide,Thiamin tetrahydrofurfuryl disulfide,Thiamine tetrahydrofurfuryl disulfide IUPAC Name: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide SMILES: CC(=C(CCO)SSCC1CCCO1)N(Cc2cnc(C)nc2N)C=O
Isouramil, TRC
CAS: 3914-34-9 Molecular Formula: C4H5N3O3 Molecular Weight (g/mol): 143.1 Synonym: 5,6-Dihydroxycytosine,6-Amino-5-hydroxy-2,4(1H,3H)-pyrimidinedione,6-Aminoisobarbituric Acid; IUPAC Name: 6-amino-5-hydroxy-1H-pyrimidine-2,4-dione SMILES: NC1=C(O)C(=O)NC(=O)N1
Macitentan, TRC
CAS: 441798-33-0 Molecular Formula: C19 H20 Br2 N6 O4 S Molecular Weight (g/mol): 588.27 Synonym: Sulfamide, N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propyl-,N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide,ACT 064992,Macitentan,Opsumit,Propylsulfamic acid N-[5-(4-bromophenyl)-6-[2-[(5-bromopyrimidin-2-yl)oxy]ethoxy]pyrimidin-4-yl]amide IUPAC Name: 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine SMILES: CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1c3ccc(Br)cc3
Moxonidine, TRC
CAS: 75438-57-2 Molecular Formula: C9 H12 Cl N5 O Molecular Weight (g/mol): 241.68 Synonym: Moxonidine,4-Chloro-N-(imidazolidin-2-ylidene)-6-methoxy-2-methylpyrimidin-5-amine,5-Pyrimidinamine, 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methyl-,4-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methyl-5-pyrimidinamine,(4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imidazolidin-2-ylidene-amine,2-(6-Chloro-4-methoxy-2-methylpyrimidin-5-ylamino)-2-imidazoline,BDF 5895,BE 5895,Cynt,LY 326869,Lomox,Moxogamma,Moxon,Norcynt,Normoxocin,Nucynt,Physiotens IUPAC Name: N-(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)imidazolidin-2-imine SMILES: COc1nc(C)nc(Cl)c1N=C2NCCN2
Avanafil, TRC
CAS: 330784-47-9 Molecular Formula: C23 H26 Cl N7 O3 Molecular Weight (g/mol): 483.95 Synonym: 5-Pyrimidinecarboxamide, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-,(S)-2-(2-Hydroxymethyl-1-pyrrolidinyl)-4-(3-chloro-4-methoxybenzylamino)-5-[(2-pyrimidinylmethyl)carbamoyl]pyrimidine,Avanafil,TA 1790 IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide SMILES: COc1ccc(CNc2nc(ncc2C(=O)NCc3ncccn3)N4CCC[C@H]4CO)cc1Cl
Bosentan, TRC
CAS: 147536-97-8 Molecular Formula: C27 H29 N5 O6 S Molecular Weight (g/mol): 551.61 Synonym: Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-,4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide,ACT 434964,Actelion,Bosentan,Ro 47-0203,Ro 47-0203/039,Tracleer,p-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide SMILES: COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4
5-Hydroxycytosine, TRC
CAS: 13484-95-2 Molecular Formula: C4 H5 N3 O2 Molecular Weight (g/mol): 127.1 Synonym: 2(1H)-Pyrimidinone, 6-amino-5-hydroxy-,2(1H)-Pyrimidinone, 4-amino-5-hydroxy- (9CI),Cytosine, 5-hydroxy- (7CI,8CI),6-Amino-5-hydroxy-2(1H)-pyrimidinone,5-Hydroxycytosine IUPAC Name: 4-amino-5-hydroxy-1H-pyrimidin-2-one SMILES: NC1=NC(=O)NC=C1O
5-Chlorouracil, TRC
CAS: 1820-81-1 Molecular Formula: C4 H3 Cl N2 O2 Molecular Weight (g/mol): 146.53 Synonym: 5-Chloropyrimidine-2,4(1H,3H)-dione,Fluorouracil Imp. E (EP),2,4(1H,3H)-Pyrimidinedione, 5-chloro-,Uracil, 5-chloro- (6CI,7CI,8CI),5-Chloro-2,4(1H,3H)-pyrimidinedione,5-Chloro-2,4-dihydroxypyrimidine,5-Chloro-2,4-pyrimidinedione,5-Chloropyrimidine-2,4-diol,5-Chlorouracil,NSC 28172 IUPAC Name: 5-chloro-1H-pyrimidine-2,4-dione SMILES: ClC1=CNC(=O)NC1=O
Thiamine Pyrophosphate, TRC
CAS: 154-87-0 Molecular Formula: C12 H19 N4 O7 P2 S . Cl Molecular Weight (g/mol): 460.77 Synonym: Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride (1:1),Thiamine, trihydrogen pyrophosphate (ester) (8CI),Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide,Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride (9CI),B-Neurox,Berolase,Biosyth,Bioxilasi,Bivitasi,Co-B1,Cocarbina,Cocarboxil,Cocarboxylase,Coenbione,Coxylase,Diphosphothiamin,Diphosphothiamine,Farmaneurina,Metabolase,Nutrase,Pyrolase,Pyruvodehydrase,TDP,TDP (thiamin ester),TPP,TPP (coenzyme),Thiamin pyrophosphate,Thiamine diphosphate,Thiamine diphosphate ester chloride,Thiamine diphosphoric acid ester chloride,Thiamine pyrophosphate,Thiamine pyrophosphate chloride,Thiamine pyrophosphate hydrochloride,Thiamine pyrophosphoric acid ester chloride,Thiamine pyrophosphoric ester,Thiamine-PP,Vitamin B1 pyrophosphate chloride IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride SMILES: [Cl-].Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
Potassium Orotate, TRC
CAS: 24598-73-0 Molecular Formula: C5H3N2O4K Molecular Weight (g/mol): 194.19 IUPAC Name: potassium;2,4-dioxo-1H-pyrimidine-6-carboxylate SMILES: C1=C(C(=O)O)N=C(N=C1[O-])O.[K+]
5-Fluoro Cytosine, TRC
CAS: 2022-85-7 Molecular Formula: C4 H4 F N3 O Molecular Weight (g/mol): 129.09 Synonym: Flucytosine,2(1H)-Pyrimidinone, 6-amino-5-fluoro-,2(1H)-Pyrimidinone, 4-amino-5-fluoro- (9CI),Cytosine, 5-fluoro- (6CI,7CI,8CI),6-Amino-5-fluoro-2(1H)-pyrimidinone,4-Amino-5-fluoropyrimidin-2(1H)-one,4-Amino-5-fluoropyrimidin-2-ol,5-Fluorocytosin,5-Fluorocytosine,6-Amino-2-oxo-5-fluoropyrimidine,Alcobon,Ancobon,Ancotil,Ancotyl,Flucytosin,Fluocytosine,Fluorocytosine,NSC 103805,Ro 2-9915 IUPAC Name: 4-amino-5-fluoro-1H-pyrimidin-2-one SMILES: NC1=NC(=O)NC=C1F
4-Hydroxy Moxonidine, TRC
CAS: 352457-34-2 Molecular Formula: C9 H13 N5 O2 Molecular Weight (g/mol): 223.23 Synonym: 4(3H)-Pyrimidinone, 5-[(4,5-dihydro-1H-imidazol-2-yl)amino]-6-methoxy-2-methyl-,4(1H)-Pyrimidinone, 5-[(4,5-dihydro-1H-imidazol-2-yl)amino]-6-methoxy-2-methyl- (9CI),5-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-6-methoxy-2-methyl-4(3H)-pyrimidinone,4-Hydroxymoxonidine,5-[(Imidazolidin-2-ylidene)amino]-6-methoxy-2-methylpyrimidin-4-ol IUPAC Name: 5-(imidazolidin-2-ylideneamino)-6-methoxy-2-methylpyrimidin-4-ol SMILES: COc1nc(C)nc(O)c1N=C2NCCN2
5-(Hydroxymethyl)cytosine, TRC
CAS: 1123-95-1 Molecular Formula: C5 H7 N3 O2 Molecular Weight (g/mol): 141.13 Synonym: 6-Amino-5-(hydroxymethyl)-2(1H)-pyrimidinone; IUPAC Name: 4-amino-5-(hydroxymethyl)pyrimidin-2-ol SMILES: Nc1nc(O)ncc1CO
Raltegravir Potassium Salt, TRC
CAS: 871038-72-1 Molecular Formula: C20 H20 F N6 O5 . K Molecular Weight (g/mol): 482.51 Synonym: 4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo-, potassium salt (1:1),4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo-, monopotassium salt (9CI),Isentress,MK 0518,Raltegravir potassium IUPAC Name: potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate SMILES: [K+].CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)[O-]