Saturday, March 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CAS Name: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
IUPAC NAME: 6-amino-7-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 6-azanyl-7-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C21H10ClN7S
MOLECULAR WEIGHT: 427.869
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=C(N(C4=NC(=C(N=C34)C#N)C#N)C5=CC=C(C=C5)Cl)N
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Product OPENEYE NAME: dimethyl (4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CAS Name: (4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl (4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
SYSTEMATIC NAME: dimethyl (4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
MOLECULAR FORMULA: C18H17NO5S
MOLECULAR WEIGHT: 359.39628
SMILES: COC(=O)[C@@H]1CCC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OC
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Product OPENEYE NAME: dimethyl (4S)-2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CAS Name: (4S)-2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl (4S)-2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
SYSTEMATIC NAME: dimethyl (4S)-2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
MOLECULAR FORMULA: C18H17NO5S
MOLECULAR WEIGHT: 359.39628
SMILES: COC(=O)[C@H]1CCC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OC
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Product OPENEYE NAME: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CAS Name: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-4-pyridinecarboxamide
IUPAC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C17H16N4O4S
MOLECULAR WEIGHT: 372.39834
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3
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Product OPENEYE NAME: (3R)-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3R)-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3R)-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: (3R)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3R)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3R)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: (3S)-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3S)-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3S)-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: (3S)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Name: (3S)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
IUPAC NAME: (3S)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide
CAS Name: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide
IUPAC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)acetamide
SYSTEMATIC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)ethanamide
MOLECULAR FORMULA: C21H23N3O5S
MOLECULAR WEIGHT: 429.48942
SMILES: CC1=C(C(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C)C
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Product OPENEYE NAME: 2-(2-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CAS Name: 2-(2-tert-butylphenoxy)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
IUPAC NAME: 2-(2-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SYSTEMATIC NAME: 2-(2-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C22H24N4O4S
MOLECULAR WEIGHT: 440.51536
SMILES: CC(C)(C)C1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3
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Product OPENEYE NAME: 6-amino-7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CAS Name: 6-amino-7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
IUPAC NAME: 6-amino-7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 6-azanyl-7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C22H23N9
MOLECULAR WEIGHT: 413.47832
SMILES: CCN(CC)CCCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC4=CC=CC=C4N3)N
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Product OPENEYE NAME: 2-[5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one
CAS Name: 2-[5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one
IUPAC NAME: 2-[5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[5-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C22H22N4O4
MOLECULAR WEIGHT: 406.43448
SMILES: COC1=C(C=C(C=C1)CCN2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)OC
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Product OPENEYE NAME: 4-chloro-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenyl-pyridazin-3-one
CAS Name: 4-chloro-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenyl-3-pyridazinone
IUPAC NAME: 4-chloro-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylpyridazin-3-one
SYSTEMATIC NAME: 4-chloranyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenyl-pyridazin-3-one
MOLECULAR FORMULA: C20H20ClN3O3
MOLECULAR WEIGHT: 385.8441
SMILES: COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)OC
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Product OPENEYE NAME: 3,4-dimethyl-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]benzamide
CAS Name: 3,4-dimethyl-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]benzamide
IUPAC NAME: 3,4-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
SYSTEMATIC NAME: 3,4-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
MOLECULAR FORMULA: C19H19N3O4S
MOLECULAR WEIGHT: 385.43686
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)C
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Product OPENEYE NAME: (E)-2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-methyl-anilino)prop-2-enenitrile
CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-methylanilino)-2-propenenitrile
IUPAC NAME: (E)-2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-methylanilino)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(1H-benzimidazol-2-yl)-3-[(3-chloranyl-4-methyl-phenyl)amino]prop-2-enenitrile
MOLECULAR FORMULA: C17H13ClN4
MOLECULAR WEIGHT: 308.76492
SMILES: CC1=C(C=C(C=C1)N/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Cl
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Product OPENEYE NAME: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)acetamide
CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)acetamide
IUPAC NAME: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)acetamide
SYSTEMATIC NAME: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)ethanamide
MOLECULAR FORMULA: C22H24N4O4S
MOLECULAR WEIGHT: 440.51536
SMILES: CCC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C
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Product OPENEYE NAME: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)acetamide
CAS Name: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)acetamide
IUPAC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)acetamide
SYSTEMATIC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)ethanamide
MOLECULAR FORMULA: C21H23N3O5S
MOLECULAR WEIGHT: 429.48942
SMILES: CCC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C
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Product OPENEYE NAME: 2-(2-ethylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CAS Name: 2-(2-ethylphenoxy)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
IUPAC NAME: 2-(2-ethylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SYSTEMATIC NAME: 2-(2-ethylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C20H20N4O4S
MOLECULAR WEIGHT: 412.4622
SMILES: CCC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3
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Product OPENEYE NAME: 2-[[2-(2-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 2-[[2-(2-ethylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 2-[[2-(2-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 2-[2-(2-ethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C19H22N2O3S
MOLECULAR WEIGHT: 358.45458
SMILES: CCC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N
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Product OPENEYE NAME: 2-(2-ethylphenoxy)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide
CAS Name: 2-(2-ethylphenoxy)-N-[4-(2-thiazolylsulfamoyl)phenyl]acetamide
IUPAC NAME: 2-(2-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SYSTEMATIC NAME: 2-(2-ethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C19H19N3O4S2
MOLECULAR WEIGHT: 417.50186
SMILES: CCC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
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Product OPENEYE NAME: 2-(2-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CAS Name: 2-(2-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
IUPAC NAME: 2-(2-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(2-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide
MOLECULAR FORMULA: C18H18N2O4S2
MOLECULAR WEIGHT: 390.47652
SMILES: CCC1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 2-(2-ethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CAS Name: 2-(2-ethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
IUPAC NAME: 2-(2-ethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(2-ethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide
MOLECULAR FORMULA: C17H15N3O4S
MOLECULAR WEIGHT: 357.3837
SMILES: CCC1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
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