Saturday, October 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (E)-N'-(4-methyl-2-nitro-phenyl)but-2-enediamide
CAS Name: (E)-N'-(4-methyl-2-nitrophenyl)-2-butenediamide
IUPAC NAME: (E)-N'-(4-methyl-2-nitrophenyl)but-2-enediamide
SYSTEMATIC NAME: (E)-N'-(4-methyl-2-nitro-phenyl)but-2-enediamide
MOLECULAR FORMULA: C11H11N3O4
MOLECULAR WEIGHT: 249.22274
SMILES: CC1=CC(=C(C=C1)NC(=O)/C=C/C(=O)N)[N+](=O)[O-]
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Product OPENEYE NAME: 3-ethyl-1-(4-methyl-2-nitro-phenyl)-4a,7a-dihydro-4H-pyrrolo[3,4-b]pyridine-5,7-dione
CAS Name: 3-ethyl-1-(4-methyl-2-nitrophenyl)-4a,7a-dihydro-4H-pyrrolo[3,4-b]pyridine-5,7-dione
IUPAC NAME: 3-ethyl-1-(4-methyl-2-nitrophenyl)-4a,7a-dihydro-4H-pyrrolo[3,4-b]pyridine-5,7-dione
SYSTEMATIC NAME: 3-ethyl-1-(4-methyl-2-nitro-phenyl)-4a,7a-dihydro-4H-pyrrolo[3,4-b]pyridine-5,7-dione
MOLECULAR FORMULA: C16H17N3O4
MOLECULAR WEIGHT: 315.32388
SMILES: CCC1=CN(C2C(C1)C(=O)NC2=O)C3=C(C=C(C=C3)C)[N+](=O)[O-]
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Product OPENEYE NAME: 3-ethyl-1-(4-methoxy-2-nitro-phenyl)-4a,7a-dihydro-4H-pyrrolo[3,4-b]pyridine-5,7-dione
CAS Name: 3-ethyl-1-(4-methoxy-2-nitrophenyl)-4a,7a-dihydro-4H-pyrrolo[3,4-b]pyridine-5,7-dione
IUPAC NAME: 3-ethyl-1-(4-methoxy-2-nitrophenyl)-4a,7a-dihydro-4H-pyrrolo[3,4-b]pyridine-5,7-dione
SYSTEMATIC NAME: 3-ethyl-1-(4-methoxy-2-nitro-phenyl)-4a,7a-dihydro-4H-pyrrolo[3,4-b]pyridine-5,7-dione
MOLECULAR FORMULA: C16H17N3O5
MOLECULAR WEIGHT: 331.32328
SMILES: CCC1=CN(C2C(C1)C(=O)NC2=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 3-ethyl-6-(4-methyl-2-nitro-phenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CAS Name: 3-ethyl-6-(4-methyl-2-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
IUPAC NAME: 3-ethyl-6-(4-methyl-2-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SYSTEMATIC NAME: 3-ethyl-6-(4-methyl-2-nitro-phenyl)pyrrolo[3,4-b]pyridine-5,7-dione
MOLECULAR FORMULA: C16H13N3O4
MOLECULAR WEIGHT: 311.29212
SMILES: CCC1=CN=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)C)[N+](=O)[O-]
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Product OPENEYE NAME: 6H-[1,3]dioxolo[4,5-e]benzimidazole
CAS Name: 6H-[1,3]dioxolo[4,5-e]benzimidazole
IUPAC NAME: 6H-[1,3]dioxolo[4,5-e]benzimidazole
SYSTEMATIC NAME: 6H-[1,3]dioxolo[4,5-e]benzimidazole
MOLECULAR FORMULA: C8H6N2O2
MOLECULAR WEIGHT: 162.14544
SMILES: C1OC2=C(O1)C3=C(C=C2)NC=N3
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Product OPENEYE NAME: 2,3-dihydro-1H-furo[3,2-e]benzimidazole
CAS Name: 2,3-dihydro-1H-furo[3,2-e]benzimidazole
IUPAC NAME: 2,3-dihydro-1H-furo[3,2-e]benzimidazole
SYSTEMATIC NAME: 2,3-dihydro-1H-furo[3,2-e]benzimidazole
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: C1NC2=C(N1)C3=C(C=C2)OC=C3
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Product OPENEYE NAME: prop-2-ynyl 2-[1-(dimethylsulfamoyl)-4-ethoxy-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylate
CAS Name: 2-[1-(dimethylsulfamoyl)-4-ethoxy-2-benzimidazolyl]-6-methyl-3-pyridinecarboxylic acid prop-2-ynyl ester
IUPAC NAME: prop-2-ynyl 2-[1-(dimethylsulfamoyl)-4-ethoxybenzimidazol-2-yl]-6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: prop-2-ynyl 2-[1-(dimethylsulfamoyl)-4-ethoxy-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C21H22N4O5S
MOLECULAR WEIGHT: 442.48818
SMILES: CCOC1=CC=CC2=C1N=C(N2S(=O)(=O)N(C)C)C3=C(C=CC(=N3)C)C(=O)OCC#C
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Product OPENEYE NAME: 4,5-dihydro-3H-thieno[3,2-e]benzimidazole
CAS Name: 4,5-dihydro-3H-thieno[3,2-e]benzimidazole
IUPAC NAME: 4,5-dihydro-3H-thieno[3,2-e]benzimidazole
SYSTEMATIC NAME: 4,5-dihydro-3H-thieno[3,2-e]benzimidazole
MOLECULAR FORMULA: C9H8N2S
MOLECULAR WEIGHT: 176.23822
SMILES: C1CC2=C(C=CS2)C3=C1NC=N3
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Product OPENEYE NAME: 6-(2-amino-4-methyl-phenyl)-3-ethyl-pyrrolo[3,4-b]pyridine-5,7-dione
CAS Name: 6-(2-amino-4-methylphenyl)-3-ethylpyrrolo[3,4-b]pyridine-5,7-dione
IUPAC NAME: 6-(2-amino-4-methylphenyl)-3-ethylpyrrolo[3,4-b]pyridine-5,7-dione
SYSTEMATIC NAME: 6-(2-azanyl-4-methyl-phenyl)-3-ethyl-pyrrolo[3,4-b]pyridine-5,7-dione
MOLECULAR FORMULA: C16H15N3O2
MOLECULAR WEIGHT: 281.3092
SMILES: CCC1=CN=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)C)N
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Product OPENEYE NAME: methyl 2-[1-(dimethylsulfamoyl)-4-methoxy-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylate
CAS Name: 2-[1-(dimethylsulfamoyl)-4-methoxy-2-benzimidazolyl]-6-methyl-3-pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[1-(dimethylsulfamoyl)-4-methoxybenzimidazol-2-yl]-6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-[1-(dimethylsulfamoyl)-4-methoxy-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C18H20N4O5S
MOLECULAR WEIGHT: 404.4402
SMILES: CC1=NC(=C(C=C1)C(=O)OC)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC=C3OC
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Product OPENEYE NAME: 1-(dimethylsulfamoyl)-3-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-2H-pyridine-5-carboxylic acid
CAS Name: 1-(dimethylsulfamoyl)-3-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-2H-pyridine-5-carboxylic acid
IUPAC NAME: 1-(dimethylsulfamoyl)-3-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-2H-pyridine-5-carboxylic acid
SYSTEMATIC NAME: 1-(dimethylsulfamoyl)-3-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-2H-pyridine-5-carboxylic acid
MOLECULAR FORMULA: C17H20N4O5S
MOLECULAR WEIGHT: 392.4295
SMILES: CC1C(=CC(=CN1S(=O)(=O)N(C)C)C(=O)O)C2=NC3=C(N2)C=C(C=C3)OC
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Product OPENEYE NAME: 1-(dimethylsulfamoyl)-2-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2H-pyridine-5-carboxylic acid
CAS Name: 1-(dimethylsulfamoyl)-2-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2H-pyridine-5-carboxylic acid
IUPAC NAME: 1-(dimethylsulfamoyl)-2-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2H-pyridine-5-carboxylic acid
SYSTEMATIC NAME: 1-(dimethylsulfamoyl)-2-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2H-pyridine-5-carboxylic acid
MOLECULAR FORMULA: C17H20N4O4S
MOLECULAR WEIGHT: 376.4301
SMILES: CC1C(=CC(=CN1S(=O)(=O)N(C)C)C(=O)O)C2=NC3=C(N2)C=C(C=C3)C
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Product OPENEYE NAME: prop-2-ynyl 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylate
CAS Name: 2-[5-chloro-1-(dimethylsulfamoyl)-2-benzimidazolyl]-6-methyl-3-pyridinecarboxylic acid prop-2-ynyl ester
IUPAC NAME: prop-2-ynyl 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]-6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: prop-2-ynyl 2-[5-chloranyl-1-(dimethylsulfamoyl)benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C19H17ClN4O4S
MOLECULAR WEIGHT: 432.88068
SMILES: CC1=NC(=C(C=C1)C(=O)OCC#C)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC(=C3)Cl
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Product OPENEYE NAME: 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]-5-ethyl-pyridine-3-carboxylic acid
CAS Name: 2-[5-chloro-1-(dimethylsulfamoyl)-2-benzimidazolyl]-5-ethyl-3-pyridinecarboxylic acid
IUPAC NAME: 2-[5-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]-5-ethylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[5-chloranyl-1-(dimethylsulfamoyl)benzimidazol-2-yl]-5-ethyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C17H17ClN4O4S
MOLECULAR WEIGHT: 408.85928
SMILES: CCC1=CN=C(C(=C1)C(=O)O)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC(=C3)Cl
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Product OPENEYE NAME: 2-[1-(dimethylsulfamoyl)-4-ethoxy-benzimidazol-2-yl]-5-methyl-pyridine-3-carboxylic acid
CAS Name: 2-[1-(dimethylsulfamoyl)-4-ethoxy-2-benzimidazolyl]-5-methyl-3-pyridinecarboxylic acid
IUPAC NAME: 2-[1-(dimethylsulfamoyl)-4-ethoxybenzimidazol-2-yl]-5-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[1-(dimethylsulfamoyl)-4-ethoxy-benzimidazol-2-yl]-5-methyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C18H20N4O5S
MOLECULAR WEIGHT: 404.4402
SMILES: CCOC1=CC=CC2=C1N=C(N2S(=O)(=O)N(C)C)C3=NC=C(C=C3C(=O)O)C
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Product OPENEYE NAME: benzimidazol-1-yl pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid 1-benzimidazolyl ester
IUPAC NAME: benzimidazol-1-yl pyridine-3-carboxylate
SYSTEMATIC NAME: benzimidazol-1-yl pyridine-3-carboxylate
MOLECULAR FORMULA: C13H9N3O2
MOLECULAR WEIGHT: 239.22946
SMILES: C1=CC=C2C(=C1)N=CN2OC(=O)C3=CN=CC=C3
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Product OPENEYE NAME: 1-[1-(dimethylsulfamoyl)-4-methoxy-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
CAS Name: 1-[1-(dimethylsulfamoyl)-4-methoxy-2-benzimidazolyl]-4H-quinoline-3-carboxylic acid
IUPAC NAME: 1-[1-(dimethylsulfamoyl)-4-methoxybenzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-[1-(dimethylsulfamoyl)-4-methoxy-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C20H20N4O5S
MOLECULAR WEIGHT: 428.4616
SMILES: CN(C)S(=O)(=O)N1C2=C(C(=CC=C2)OC)N=C1N3C=C(CC4=CC=CC=C43)C(=O)O
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Product OPENEYE NAME: 2-[1-(dimethylsulfamoyl)-5-fluoro-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylic acid
CAS Name: 2-[1-(dimethylsulfamoyl)-5-fluoro-2-benzimidazolyl]-6-methyl-3-pyridinecarboxylic acid
IUPAC NAME: 2-[1-(dimethylsulfamoyl)-5-fluorobenzimidazol-2-yl]-6-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[1-(dimethylsulfamoyl)-5-fluoranyl-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C16H15FN4O4S
MOLECULAR WEIGHT: 378.378103
SMILES: CC1=NC(=C(C=C1)C(=O)O)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC(=C3)F
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Product OPENEYE NAME: 2-[1-(dimethylsulfamoyl)-4-methoxy-benzimidazol-2-yl]-5-ethyl-pyridine-3-carboxylic acid
CAS Name: 2-[1-(dimethylsulfamoyl)-4-methoxy-2-benzimidazolyl]-5-ethyl-3-pyridinecarboxylic acid
IUPAC NAME: 2-[1-(dimethylsulfamoyl)-4-methoxybenzimidazol-2-yl]-5-ethylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[1-(dimethylsulfamoyl)-4-methoxy-benzimidazol-2-yl]-5-ethyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C18H20N4O5S
MOLECULAR WEIGHT: 404.4402
SMILES: CCC1=CN=C(C(=C1)C(=O)O)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC=C3OC
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Product OPENEYE NAME: 1-[1-(dimethylsulfamoyl)-4,5-dimethyl-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
CAS Name: 1-[1-(dimethylsulfamoyl)-4,5-dimethyl-2-benzimidazolyl]-4H-quinoline-3-carboxylic acid
IUPAC NAME: 1-[1-(dimethylsulfamoyl)-4,5-dimethylbenzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-[1-(dimethylsulfamoyl)-4,5-dimethyl-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C21H22N4O4S
MOLECULAR WEIGHT: 426.48878
SMILES: CC1=C(C2=C(C=C1)N(C(=N2)N3C=C(CC4=CC=CC=C43)C(=O)O)S(=O)(=O)N(C)C)C
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Product OPENEYE NAME: 1-[1-(dimethylsulfamoyl)-4-methyl-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
CAS Name: 1-[1-(dimethylsulfamoyl)-4-methyl-2-benzimidazolyl]-4H-quinoline-3-carboxylic acid
IUPAC NAME: 1-[1-(dimethylsulfamoyl)-4-methylbenzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-[1-(dimethylsulfamoyl)-4-methyl-benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C20H20N4O4S
MOLECULAR WEIGHT: 412.4622
SMILES: CC1=C2C(=CC=C1)N(C(=N2)N3C=C(CC4=CC=CC=C43)C(=O)O)S(=O)(=O)N(C)C
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Product OPENEYE NAME: 2-[4-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylic acid
CAS Name: 2-[4-chloro-1-(dimethylsulfamoyl)-2-benzimidazolyl]-6-methyl-3-pyridinecarboxylic acid
IUPAC NAME: 2-[4-chloro-1-(dimethylsulfamoyl)benzimidazol-2-yl]-6-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[4-chloranyl-1-(dimethylsulfamoyl)benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C16H15ClN4O4S
MOLECULAR WEIGHT: 394.8327
SMILES: CC1=NC(=C(C=C1)C(=O)O)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC=C3Cl
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Product OPENEYE NAME: 1-ethoxyethyl 5-ethyl-2-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxylate
CAS Name: 5-ethyl-2-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinecarboxylic acid 1-ethoxyethyl ester
IUPAC NAME: 1-ethoxyethyl 5-ethyl-2-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: 1-ethoxyethyl 5-ethyl-2-(6-methyl-1H-benzimidazol-2-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C20H23N3O3
MOLECULAR WEIGHT: 353.41492
SMILES: CCC1=CN=C(C(=C1)C(=O)OC(C)OCC)C2=NC3=C(N2)C=C(C=C3)C
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