CAS RN: 27150-03-4
CAS Name: 2-[[[4-[(2,6-diamino-7H-purin-8-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,6-diamino-7H-purin-8-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,6-bis(azanyl)-7H-purin-8-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C18H20N8O5
MOLECULAR WEIGHT: 428.402
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=NC3=C(N2)C(=NC(=N3)N)N
Structure:
CAS RN: 6957-83-1
CAS Name: N1,N4-bis(2-hydroxy-5-nitrophenyl)benzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis(2-hydroxy-5-nitro-phenyl)terephthalamide
IUPAC Name: 1-N,4-N-bis(2-hydroxy-5-nitrophenyl)benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis(5-nitro-2-oxidanyl-phenyl)benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C20H14N4O8
MOLECULAR WEIGHT: 438.34716
SMILES: C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O
Structure:
CAS RN: 67139-49-5
CAS Name: 2-azido-1-(2-hydroxyphenyl)ethanone
OPENEYE Name: 2-azido-1-(2-hydroxyphenyl)ethanone
IUPAC Name: 2-azido-1-(2-hydroxyphenyl)ethanone
SYSTEMATIC NAME: 2-azido-1-(2-hydroxyphenyl)ethanone
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: C1=CC=C(C(=C1)C(=O)CN=[N+]=[N-])O
Structure:
CAS RN: 34793-39-0
CAS Name: methanesulfonic acid [6-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] ester
OPENEYE Name: [6-(2-amino-6-thioxo-3H-purin-9-yl)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] methanesulfonate
IUPAC Name: [6-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] methanesulfonate
SYSTEMATIC NAME: [6-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] methanesulfonate
MOLECULAR FORMULA: C14H19N5O6S2
MOLECULAR WEIGHT: 417.46056
SMILES: CC1(OCC2C(O1)C(C(O2)N3C=NC4=C3NC(=NC4=S)N)OS(=O)(=O)C)C
Structure:
CAS RN: 90328-72-6
CAS Name: 1-cyclohexyl-1-methyl-3-[1-(2-quinolinyl)ethylideneamino]thiourea
OPENEYE Name: 1-cyclohexyl-1-methyl-3-[1-(2-quinolyl)ethylideneamino]thiourea
IUPAC Name: 1-cyclohexyl-1-methyl-3-(1-quinolin-2-ylethylideneamino)thiourea
SYSTEMATIC NAME: 1-cyclohexyl-1-methyl-3-(1-quinolin-2-ylethylideneamino)thiourea
MOLECULAR FORMULA: C19H24N4S
MOLECULAR WEIGHT: 340.48566
SMILES: CC(=NNC(=S)N(C)C1CCCCC1)C2=NC3=CC=CC=C3C=C2
Structure:
CAS RN: 5169-94-8
CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-hydroxy-6-purinone
OPENEYE Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-hydroxy-purin-6-one
IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-hydroxypurin-6-one
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-oxidanyl-purin-6-one
MOLECULAR FORMULA: C10H12N4O6
MOLECULAR WEIGHT: 284.22548
SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN(C2=O)O
Structure:
CAS RN: 77146-05-5
CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-hydroxy-6-purinone
OPENEYE Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-hydroxy-purin-6-one
IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-hydroxypurin-6-one
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-oxidanyl-purin-6-one
MOLECULAR FORMULA: C10H12N4O6
MOLECULAR WEIGHT: 284.22548
SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN(C2=O)O
Structure:
CAS RN: 56768-58-2
CAS Name: 4-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
OPENEYE Name: 4-(p-tolylsulfamoyl)benzenecarbothioamide
IUPAC Name: 4-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
SYSTEMATIC NAME: 4-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
MOLECULAR FORMULA: C14H14N2O2S2
MOLECULAR WEIGHT: 306.40316
SMILES: CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 74607-20-8
CAS Name: 5-(1-methylethenyl)-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-isopropenyl-5-pentyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-pentyl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-pentyl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C12H18N2O2S
MOLECULAR WEIGHT: 254.34852
SMILES: CCCCCC1(C(=O)NC(=S)NC1=O)C(=C)C
Structure:
CAS RN: 7496-31-3
CAS Name: 2-methyl-6-sulfanylidene-5H-pyrimido[5,4-d]pyrimidin-8-one
OPENEYE Name: 2-methyl-6-thioxo-5H-pyrimido[5,4-d]pyrimidin-8-one
IUPAC Name: 2-methyl-6-sulfanylidene-5H-pyrimido[5,4-d]pyrimidin-8-one
SYSTEMATIC NAME: 2-methyl-6-sulfanylidene-5H-pyrimido[5,4-d]pyrimidin-8-one
MOLECULAR FORMULA: C7H6N4OS
MOLECULAR WEIGHT: 194.21374
SMILES: CC1=NC=C2C(=N1)C(=O)NC(=S)N2
Structure:
CAS RN: 90565-95-0
CAS Name: 5-butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-butyl-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-butyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C9H14N2O2S
MOLECULAR WEIGHT: 214.28466
SMILES: CCCCC1C(=O)NC(=S)N(C1=O)C
Structure:
CAS RN: 30710-21-5
CAS Name: (6-nitro-1,3-benzothiazol-2-yl)hydrazine
OPENEYE Name: (6-nitro-1,3-benzothiazol-2-yl)hydrazine
IUPAC Name: (6-nitro-1,3-benzothiazol-2-yl)hydrazine
SYSTEMATIC NAME: (6-nitro-1,3-benzothiazol-2-yl)diazane
MOLECULAR FORMULA: C7H6N4O2S
MOLECULAR WEIGHT: 210.21314
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NN
Structure:
CAS RN: 3438-88-8
CAS Name: 7-[(4-nitrophenyl)methylthio]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
OPENEYE Name: 7-[(4-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
IUPAC Name: 7-[(4-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
SYSTEMATIC NAME: 7-[(4-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
MOLECULAR FORMULA: C12H9N5O2S2
MOLECULAR WEIGHT: 319.36216
SMILES: C1=CC(=CC=C1CSC2=C3C(=NC=N3)C(=S)NN2)[N+](=O)[O-]
Structure:
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