CAS RN: 58554-17-9
CAS Name: N-[(benzenecarbonothioylamino)-oxomethyl]-2-phenylacetamide
OPENEYE Name: N-(benzenecarbonothioylcarbamoyl)-2-phenyl-acetamide
IUPAC Name: N-(benzenecarbonothioylcarbamoyl)-2-phenylacetamide
SYSTEMATIC NAME: N-(benzenecarbonothioylcarbamoyl)-2-phenyl-ethanamide
MOLECULAR FORMULA: C16H14N2O2S
MOLECULAR WEIGHT: 298.35956
SMILES: C1=CC=C(C=C1)CC(=O)NC(=O)NC(=S)C2=CC=CC=C2
Structure:
CAS RN: 80037-39-4
CAS Name: 1-[(4-nitrophenyl)methyl]-N,5-diphenyl-2,3-dihydropyrrole-4-carbothioamide
OPENEYE Name: 1-[(4-nitrophenyl)methyl]-N,5-diphenyl-2,3-dihydropyrrole-4-carbothioamide
IUPAC Name: 1-[(4-nitrophenyl)methyl]-N,5-diphenyl-2,3-dihydropyrrole-4-carbothioamide
SYSTEMATIC NAME: 1-[(4-nitrophenyl)methyl]-N,5-diphenyl-2,3-dihydropyrrole-4-carbothioamide
MOLECULAR FORMULA: C24H21N3O2S
MOLECULAR WEIGHT: 415.50744
SMILES: C1CN(C(=C1C(=S)NC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 5279-01-6
CAS Name: N4-(2-furanylmethyl)-2-(4-morpholinyl)-5-nitropyrimidine-4,6-diamine
OPENEYE Name: N4-(2-furylmethyl)-2-morpholino-5-nitro-pyrimidine-4,6-diamine
IUPAC Name: 4-N-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
SYSTEMATIC NAME: N4-(furan-2-ylmethyl)-2-morpholin-4-yl-5-nitro-pyrimidine-4,6-diamine
MOLECULAR FORMULA: C13H16N6O4
MOLECULAR WEIGHT: 320.30394
SMILES: C1COCCN1C2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N
Structure:
CAS RN: 5326-09-0
CAS Name: [(2-methyl-4-oxopentan-2-yl)amino]thiourea
OPENEYE Name: [(1,1-dimethyl-3-oxo-butyl)amino]thiourea
IUPAC Name: [(2-methyl-4-oxopentan-2-yl)amino]thiourea
SYSTEMATIC NAME: 1-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]thiourea
MOLECULAR FORMULA: C7H15N3OS
MOLECULAR WEIGHT: 189.2785
SMILES: CC(=O)CC(C)(C)NNC(=S)N
Structure:
CAS RN: 20085-44-3
CAS Name: 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
OPENEYE Name: 5-thioxo-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
IUPAC Name: 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SYSTEMATIC NAME: 5-sulfanylidene-1H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
MOLECULAR FORMULA: C4H3N5OS
MOLECULAR WEIGHT: 169.16452
SMILES: C1=NC2=NC(=S)NC(=O)N2N1
Structure:
CAS RN: 65069-52-5
CAS Name: (3,4-dimethoxyphenyl)thiourea
OPENEYE Name: (3,4-dimethoxyphenyl)thiourea
IUPAC Name: (3,4-dimethoxyphenyl)thiourea
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)thiourea
MOLECULAR FORMULA: C9H12N2O2S
MOLECULAR WEIGHT: 212.26878
SMILES: COC1=C(C=C(C=C1)NC(=S)N)OC
Structure:
CAS RN: 137796-06-6
CAS Name: 4-ethyl-2-methyl-2-(3-methylbutyl)oxazolidine
OPENEYE Name: 4-ethyl-2-isopentyl-2-methyl-oxazolidine
IUPAC Name: 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SYSTEMATIC NAME: 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CCC1COC(N1)(C)CCC(C)C
Structure:
CAS RN: 24797-26-0
CAS Name: 4-(2-chloro-6-methylphenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2-chloro-6-methyl-phenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2-chloro-6-methylphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2-chloranyl-6-methyl-phenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C23H18ClN5S
MOLECULAR WEIGHT: 431.94052
SMILES: CC1=C(C(=CC=C1)Cl)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=S)N)C4=CC=CC=C4
Structure:
CAS RN: 24743-52-0
CAS Name: 4-(4-ethoxyphenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(4-ethoxyphenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(4-ethoxyphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(4-ethoxyphenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C24H21N5OS
MOLECULAR WEIGHT: 427.52144
SMILES: CCOC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=S)N)C4=CC=CC=C4
Structure:
CAS RN: 24743-56-4
CAS Name: 4-(2,6-dimethylphenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2,6-dimethylphenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2,6-dimethylphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2,6-dimethylphenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C24H21N5S
MOLECULAR WEIGHT: 411.52204
SMILES: CC1=C(C(=CC=C1)C)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=S)N)C4=CC=CC=C4
Structure:
CAS RN: 32902-21-9
CAS Name: (1-methyl-2-imidazolyl)-(3-nitrophenyl)methanone
OPENEYE Name: (1-methylimidazol-2-yl)-(3-nitrophenyl)methanone
IUPAC Name: (1-methylimidazol-2-yl)-(3-nitrophenyl)methanone
SYSTEMATIC NAME: (1-methylimidazol-2-yl)-(3-nitrophenyl)methanone
MOLECULAR FORMULA: C11H9N3O3
MOLECULAR WEIGHT: 231.20746
SMILES: CN1C=CN=C1C(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 15846-77-2
CAS Name: 8-(4-nitrophenyl)-3,7-dihydropurin-6-one
OPENEYE Name: 8-(4-nitrophenyl)-3,7-dihydropurin-6-one
IUPAC Name: 8-(4-nitrophenyl)-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 8-(4-nitrophenyl)-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C11H7N5O3
MOLECULAR WEIGHT: 257.20498
SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C(=O)N=CN3)[N+](=O)[O-]
Structure:
CAS RN: 26829-89-0
CAS Name: 2,4-dibromo-3,6-dimethylaniline
OPENEYE Name: 2,4-dibromo-3,6-dimethyl-aniline
IUPAC Name: 2,4-dibromo-3,6-dimethylaniline
SYSTEMATIC NAME: 2,4-bis(bromanyl)-3,6-dimethyl-aniline
MOLECULAR FORMULA: C8H9Br2N
MOLECULAR WEIGHT: 278.97176
SMILES: CC1=CC(=C(C(=C1N)Br)C)Br
Structure:
CAS RN: 31461-61-7
CAS Name: 4-amino-5-[[1-[(1-carboxy-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: 4-amino-5-[[1-[(1-carboxy-2-phenyl-ethyl)carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid
IUPAC Name: 4-amino-5-[[1-[(1-carboxy-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 4-azanyl-5-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C19H27N3O6
MOLECULAR WEIGHT: 393.43418
SMILES: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCC(=O)O)N
Structure:
CAS RN: 182169-63-7
CAS Name: 1-[3-(4-methoxyphenyl)phenyl]ethanone
OPENEYE Name: 1-[3-(4-methoxyphenyl)phenyl]ethanone
IUPAC Name: 1-[3-(4-methoxyphenyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[3-(4-methoxyphenyl)phenyl]ethanone
MOLECULAR FORMULA: C15H14O2
MOLECULAR WEIGHT: 226.27046
SMILES: CC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)OC
Structure:
CAS RN: 261896-35-9
CAS Name: 4,4-dimethyl-3-pyrrolidinecarboxylic acid
OPENEYE Name: 4,4-dimethylpyrrolidine-3-carboxylic acid
IUPAC Name: 4,4-dimethylpyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 4,4-dimethylpyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: CC1(CNCC1C(=O)O)C
Structure:
CAS RN: 458532-84-8
CAS Name: 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 2-chloranyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C11H15BClNO2
MOLECULAR WEIGHT: 239.5063
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)Cl
Structure:
CAS RN: 92149-91-2
CAS Name: 3-(4-methylphenyl)-1H-benzimidazole-2-thione
OPENEYE Name: 3-(p-tolyl)-1H-benzimidazole-2-thione
IUPAC Name: 3-(4-methylphenyl)-1H-benzimidazole-2-thione
SYSTEMATIC NAME: 3-(4-methylphenyl)-1H-benzimidazole-2-thione
MOLECULAR FORMULA: C14H12N2S
MOLECULAR WEIGHT: 240.32348
SMILES: CC1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S
Structure:
CAS RN: 343272-23-1
CAS Name: 2-amino-5-propan-2-yl-3-thiophenecarboxamide
OPENEYE Name: 2-amino-5-isopropyl-thiophene-3-carboxamide
IUPAC Name: 2-amino-5-propan-2-ylthiophene-3-carboxamide
SYSTEMATIC NAME: 2-azanyl-5-propan-2-yl-thiophene-3-carboxamide
MOLECULAR FORMULA: C8H12N2OS
MOLECULAR WEIGHT: 184.25868
SMILES: CC(C)C1=CC(=C(S1)N)C(=O)N
Structure:
CAS RN: 120944-72-1
CAS Name: 4-[[2-[[[1-[2-[[[1-[2-[[[1-[2-[[[1-[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-carboxy-1-oxopropyl]-
OPENEYE Name: 4-[[2-[[1-[2-[[1-[2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-
IUPAC Name: 4-[[2-[[1-[2-[[1-[2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-me
SYSTEMATIC NAME: 4-[[2-[[1-[2-[[1-[2-[[1-[2-[[1-[2-(2-azanylethanoylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2
MOLECULAR FORMULA: C65H98N16O19
MOLECULAR WEIGHT: 1407.56942
SMILES: CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)NC(=O)C5CCCN5C(=O)C(C(C)C)NC(=O)C6CCCN6C(=O)C(C)NC(=O)CN
Structure:
CAS RN: 39072-28-1
CAS Name: 2-thiophen-2-yl-4-quinolinecarbohydrazide
OPENEYE Name: 2-(2-thienyl)quinoline-4-carbohydrazide
IUPAC Name: 2-thiophen-2-ylquinoline-4-carbohydrazide
SYSTEMATIC NAME: 2-thiophen-2-ylquinoline-4-carbohydrazide
MOLECULAR FORMULA: C14H11N3OS
MOLECULAR WEIGHT: 269.32164
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN
Structure:
CAS RN: 6596-82-3
CAS Name: 4,5-diphenyl-1,2,4-triazole-3-thiolate
OPENEYE Name: 4,5-diphenyl-1,2,4-triazole-3-thiolate
IUPAC Name: 4,5-diphenyl-1,2,4-triazole-3-thiolate
SYSTEMATIC NAME: 4,5-diphenyl-1,2,4-triazole-3-thiolate
MOLECULAR FORMULA: C14H10N3S-
MOLECULAR WEIGHT: 252.3143
SMILES: C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-]
Structure:
CAS RN: 13144-71-3
CAS Name: octadecanethioamide
OPENEYE Name: octadecanethioamide
IUPAC Name: octadecanethioamide
SYSTEMATIC NAME: octadecanethioamide
MOLECULAR FORMULA: C18H37NS
MOLECULAR WEIGHT: 299.55808
SMILES: CCCCCCCCCCCCCCCCCC(=S)N
Structure:
CAS RN: 53412-77-4
CAS Name: 4-amino-3-phenyl-2-quinazolinethione
OPENEYE Name: 4-amino-3-phenyl-quinazoline-2-thione
IUPAC Name: 4-amino-3-phenylquinazoline-2-thione
SYSTEMATIC NAME: 4-azanyl-3-phenyl-quinazoline-2-thione
MOLECULAR FORMULA: C14H11N3S
MOLECULAR WEIGHT: 253.32224
SMILES: C1=CC=C(C=C1)N2C(=C3C=CC=CC3=NC2=S)N
Structure:
CAS RN: 89854-46-6
CAS Name: 2-(7H-purin-6-ylamino)ethanethiol
OPENEYE Name: 2-(7H-purin-6-ylamino)ethanethiol
IUPAC Name: 2-(7H-purin-6-ylamino)ethanethiol
SYSTEMATIC NAME: 2-(7H-purin-6-ylamino)ethanethiol
MOLECULAR FORMULA: C7H9N5S
MOLECULAR WEIGHT: 195.24486
SMILES: C1=NC2=C(N1)C(=NC=N2)NCCS
Structure:
CAS RN: 6149-34-4
CAS Name: N4-(4-nitrophenyl)benzene-1,4-diamine
OPENEYE Name: N4-(4-nitrophenyl)benzene-1,4-diamine
IUPAC Name: 4-N-(4-nitrophenyl)benzene-1,4-diamine
SYSTEMATIC NAME: N4-(4-nitrophenyl)benzene-1,4-diamine
MOLECULAR FORMULA: C12H11N3O2
MOLECULAR WEIGHT: 229.23464
SMILES: C1=CC(=CC=C1N)NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 6625-61-2
CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
OPENEYE Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2,6-dimethylquinoline-4-carboxylate
IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 2,6-dimethylquinoline-4-carboxylate
SYSTEMATIC NAME: (1-oxidanylidene-1-phenyl-propan-2-yl) 2,6-dimethylquinoline-4-carboxylate
MOLECULAR FORMULA: C21H19NO3
MOLECULAR WEIGHT: 333.38046
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)C3=CC=CC=C3)C
Structure:
CAS RN: 89538-65-8
CAS Name: 1-(4-tert-butylphenyl)ethanamine
OPENEYE Name: 1-(4-tert-butylphenyl)ethanamine
IUPAC Name: 1-(4-tert-butylphenyl)ethanamine
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)ethanamine
MOLECULAR FORMULA: C12H19N
MOLECULAR WEIGHT: 177.28596
SMILES: CC(C1=CC=C(C=C1)C(C)(C)C)N
Structure:
CAS RN: 15658-52-3
CAS Name: sulfuric acid (4-aminophenyl) ester
OPENEYE Name: (4-aminophenyl) hydrogen sulfate
IUPAC Name: (4-aminophenyl) hydrogen sulfate
SYSTEMATIC NAME: (4-aminophenyl) hydrogen sulfate
MOLECULAR FORMULA: C6H7NO4S
MOLECULAR WEIGHT: 189.18908
SMILES: C1=CC(=CC=C1N)OS(=O)(=O)O
Structure:
CAS RN: 14548-38-0
CAS Name: 6-chloro-2,3-dihydroinden-1-one
OPENEYE Name: 6-chloroindan-1-one
IUPAC Name: 6-chloro-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 6-chloranyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H7ClO
MOLECULAR WEIGHT: 166.60428
SMILES: C1CC(=O)C2=C1C=CC(=C2)Cl
Structure:
CAS RN: 35351-32-7
CAS Name: 5-(chloromethyl)-2-methyl-3-furancarboxylic acid methyl ester
OPENEYE Name: methyl 5-(chloromethyl)-2-methyl-furan-3-carboxylate
IUPAC Name: methyl 5-(chloromethyl)-2-methylfuran-3-carboxylate
SYSTEMATIC NAME: methyl 5-(chloromethyl)-2-methyl-furan-3-carboxylate
MOLECULAR FORMULA: C8H9ClO3
MOLECULAR WEIGHT: 188.60826
SMILES: CC1=C(C=C(O1)CCl)C(=O)OC
Structure:
CAS RN: 3791-08-0
CAS Name: 6-[(4-fluorophenyl)methylthio]-7H-purin-2-amine
OPENEYE Name: 6-[(4-fluorophenyl)methylsulfanyl]-7H-purin-2-amine
IUPAC Name: 6-[(4-fluorophenyl)methylsulfanyl]-7H-purin-2-amine
SYSTEMATIC NAME: 6-[(4-fluorophenyl)methylsulfanyl]-7H-purin-2-amine
MOLECULAR FORMULA: C12H10FN5S
MOLECULAR WEIGHT: 275.304703
SMILES: C1=CC(=CC=C1CSC2=NC(=NC3=C2NC=N3)N)F
Structure:
CAS RN: 5686-05-5
CAS Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C25H32O6
MOLECULAR WEIGHT: 428.51798
SMILES: CC1(CC(=C(C(=O)C1)C(C2=CC(=C(C=C2)OC)CO)C3=C(CC(CC3=O)(C)C)O)O)C
Structure:
CAS RN: 6303-49-7
CAS Name: 5-bromo-4-mercapto-1H-pyrimidine-6-thione
OPENEYE Name: 5-bromo-4-sulfanyl-1H-pyrimidine-6-thione
IUPAC Name: 5-bromo-4-sulfanyl-1H-pyrimidine-6-thione
SYSTEMATIC NAME: 5-bromanyl-4-sulfanyl-1H-pyrimidine-6-thione
MOLECULAR FORMULA: C4H3BrN2S2
MOLECULAR WEIGHT: 223.11402
SMILES: C1=NC(=C(C(=S)N1)Br)S
Structure:
CAS RN: 34793-37-8
CAS Name: methanesulfonic acid [2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester
OPENEYE Name: [2-(2-amino-6-thioxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] methanesulfonate
IUPAC Name: [2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate
SYSTEMATIC NAME: [2-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] methanesulfonate
MOLECULAR FORMULA: C11H15N5O6S2
MOLECULAR WEIGHT: 377.3967
SMILES: CS(=O)(=O)OC1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O
Structure:
CAS RN: 64511-00-8
CAS Name: 4-[(3-nitrophenyl)methylideneamino]benzenecarbothioamide
OPENEYE Name: 4-[(3-nitrophenyl)methyleneamino]benzenecarbothioamide
IUPAC Name: 4-[(3-nitrophenyl)methylideneamino]benzenecarbothioamide
SYSTEMATIC NAME: 4-[(3-nitrophenyl)methylideneamino]benzenecarbothioamide
MOLECULAR FORMULA: C14H11N3O2S
MOLECULAR WEIGHT: 285.32104
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 56742-16-6
CAS Name: 2-amino-6-(4-azidophenyl)-5-bromo-1H-pyrimidin-4-one
OPENEYE Name: 2-amino-6-(4-azidophenyl)-5-bromo-1H-pyrimidin-4-one
IUPAC Name: 2-amino-6-(4-azidophenyl)-5-bromo-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-(4-azidophenyl)-5-bromanyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C10H7BrN6O
MOLECULAR WEIGHT: 307.10618
SMILES: C1=CC(=CC=C1C2=C(C(=O)N=C(N2)N)Br)N=[N+]=[N-]
Structure:
CAS RN: 122684-35-9
CAS Name: 3-carbamothioyl-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-carbamothioylpyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3-carbamothioylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-carbamothioylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H18N2O2S
MOLECULAR WEIGHT: 230.32712
SMILES: CC(C)(C)OC(=O)N1CCC(C1)C(=S)N
Structure:
CAS RN: 81250-34-2
CAS Name: 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione
OPENEYE Name: 5,6-diamino-1,3-dipropyl-pyrimidine-2,4-dione
IUPAC Name: 5,6-diamino-1,3-dipropylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5,6-bis(azanyl)-1,3-dipropyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H18N4O2
MOLECULAR WEIGHT: 226.27552
SMILES: CCCN1C(=C(C(=O)N(C1=O)CCC)N)N
Structure:
CAS RN: 15726-38-2
CAS Name: 5-bromo-4-hydroxy-1H-pyrimidin-6-one
OPENEYE Name: 5-bromo-4-hydroxy-1H-pyrimidin-6-one
IUPAC Name: 5-bromo-4-hydroxy-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-bromanyl-4-oxidanyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C4H3BrN2O2
MOLECULAR WEIGHT: 190.98282
SMILES: C1=NC(=C(C(=O)N1)Br)O
Structure:
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