Friday, November 2, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(3,5-dimethylphenyl)-3-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CAS Name: 1-(3,5-dimethylphenyl)-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]urea
IUPAC NAME: 1-(3,5-dimethylphenyl)-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SYSTEMATIC NAME: 1-(3,5-dimethylphenyl)-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
MOLECULAR FORMULA: C23H19F3N4OS
MOLECULAR WEIGHT: 456.48337
SMILES: CC1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4)C
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CAS Name: 1-(4-fluorophenyl)-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]urea
IUPAC NAME: 1-(4-fluorophenyl)-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
MOLECULAR FORMULA: C21H14F4N4OS
MOLECULAR WEIGHT: 446.420673
SMILES: C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)F)C(F)(F)F
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Product OPENEYE NAME: 1-phenyl-3-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CAS Name: 1-phenyl-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]urea
IUPAC NAME: 1-phenyl-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SYSTEMATIC NAME: 1-phenyl-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
MOLECULAR FORMULA: C21H15F3N4OS
MOLECULAR WEIGHT: 428.43021
SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4
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Product OPENEYE NAME: 3,3-dimethyl-5-oxo-5-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid
CAS Name: 3,3-dimethyl-5-oxo-5-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]anilino]pentanoic acid
IUPAC NAME: 3,3-dimethyl-5-oxo-5-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoic acid
SYSTEMATIC NAME: 3,3-dimethyl-5-oxidanylidene-5-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]amino]pentanoic acid
MOLECULAR FORMULA: C21H20F3N3O3S
MOLECULAR WEIGHT: 451.46201
SMILES: CC(C)(CC(=O)NC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3)CC(=O)O
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Product OPENEYE NAME: 2-[2-oxo-2-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]anilino]ethoxy]acetic acid
CAS Name: 2-[2-oxo-2-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]anilino]ethoxy]acetic acid
IUPAC NAME: 2-[2-oxo-2-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]anilino]ethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]amino]ethoxy]ethanoic acid
MOLECULAR FORMULA: C18H14F3N3O4S
MOLECULAR WEIGHT: 425.38167
SMILES: C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)NC(=O)COCC(=O)O)C(F)(F)F
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Product OPENEYE NAME: 3-[(4-sulfamoylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[oxo-(4-sulfamoylanilino)methyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[(4-sulfamoylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[(4-sulfamoylphenyl)carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C12H10N4O5S
MOLECULAR WEIGHT: 322.2966
SMILES: C1=CC(=CC=C1NC(=O)C2=NC=CN=C2C(=O)O)S(=O)(=O)N
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Product OPENEYE NAME: methyl 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)thiophene-3-carboxylate
CAS Name: 4-(5,7-dioxo-6-pyrrolo[3,4-b]pyrazinyl)-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-[5,7-bis(oxidanylidene)pyrrolo[3,4-b]pyrazin-6-yl]thiophene-3-carboxylate
MOLECULAR FORMULA: C12H7N3O4S
MOLECULAR WEIGHT: 289.26668
SMILES: COC(=O)C1=CSC=C1N2C(=O)C3=NC=CN=C3C2=O
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Product OPENEYE NAME: 6-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione
CAS Name: 6-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione
IUPAC NAME: 6-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione
SYSTEMATIC NAME: 6-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione
MOLECULAR FORMULA: C20H12F3N3O4
MOLECULAR WEIGHT: 415.32219
SMILES: COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N3C(=O)C4=NC=CN=C4C3=O
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Product OPENEYE NAME: 3,3-dimethyl-5-oxo-5-(4-sulfamoylanilino)pentanoic acid
CAS Name: 3,3-dimethyl-5-oxo-5-(4-sulfamoylanilino)pentanoic acid
IUPAC NAME: 3,3-dimethyl-5-oxo-5-(4-sulfamoylanilino)pentanoic acid
SYSTEMATIC NAME: 3,3-dimethyl-5-oxidanylidene-5-[(4-sulfamoylphenyl)amino]pentanoic acid
MOLECULAR FORMULA: C13H18N2O5S
MOLECULAR WEIGHT: 314.35742
SMILES: CC(C)(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)CC(=O)O
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Product OPENEYE NAME: 2-[2-oxo-2-(4-sulfamoylanilino)ethoxy]acetic acid
CAS Name: 2-[2-oxo-2-(4-sulfamoylanilino)ethoxy]acetic acid
IUPAC NAME: 2-[2-oxo-2-(4-sulfamoylanilino)ethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethoxy]ethanoic acid
MOLECULAR FORMULA: C10H12N2O6S
MOLECULAR WEIGHT: 288.27708
SMILES: C1=CC(=CC=C1NC(=O)COCC(=O)O)S(=O)(=O)N
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Product OPENEYE NAME: 2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylacetic acid
CAS Name: 2-[[2-oxo-2-(4-sulfamoylanilino)ethyl]thio]acetic acid
IUPAC NAME: 2-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C10H12N2O5S2
MOLECULAR WEIGHT: 304.34268
SMILES: C1=CC(=CC=C1NC(=O)CSCC(=O)O)S(=O)(=O)N
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Product OPENEYE NAME: 2-[1-[2-oxo-2-(4-sulfamoylanilino)ethyl]cyclopentyl]acetic acid
CAS Name: 2-[1-[2-oxo-2-(4-sulfamoylanilino)ethyl]cyclopentyl]acetic acid
IUPAC NAME: 2-[1-[2-oxo-2-(4-sulfamoylanilino)ethyl]cyclopentyl]acetic acid
SYSTEMATIC NAME: 2-[1-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]cyclopentyl]ethanoic acid
MOLECULAR FORMULA: C15H20N2O5S
MOLECULAR WEIGHT: 340.3947
SMILES: C1CCC(C1)(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)O
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Product OPENEYE NAME: 2-methoxyethyl 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
CAS Name: 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid 2-methoxyethyl ester
IUPAC NAME: 2-methoxyethyl 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
SYSTEMATIC NAME: 2-methoxyethyl 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
MOLECULAR FORMULA: C23H20F3N3O6
MOLECULAR WEIGHT: 491.41661
SMILES: COCCOC(=O)C1=NC=CN=C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 5-(5-ethylsulfonyl-2-hydroxy-anilino)-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-(5-ethylsulfonyl-2-hydroxyanilino)-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-(5-ethylsulfonyl-2-hydroxyanilino)-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C15H21NO6S
MOLECULAR WEIGHT: 343.39534
SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CC(C)(C)CC(=O)O
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Product OPENEYE NAME: 5-(5-ethylsulfonyl-2-hydroxy-anilino)-5-oxo-pentanoic acid
CAS Name: 5-(5-ethylsulfonyl-2-hydroxyanilino)-5-oxopentanoic acid
IUPAC NAME: 5-(5-ethylsulfonyl-2-hydroxyanilino)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H17NO6S
MOLECULAR WEIGHT: 315.34218
SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCCC(=O)O
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Product OPENEYE NAME: 2-[2-(5-ethylsulfonyl-2-hydroxy-anilino)-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-(5-ethylsulfonyl-2-hydroxyanilino)-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-(5-ethylsulfonyl-2-hydroxyanilino)-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C12H15NO7S
MOLECULAR WEIGHT: 317.315
SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)COCC(=O)O
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Product OPENEYE NAME: 2-[(5-ethylsulfonyl-2-hydroxy-phenyl)carbamoyl]benzoic acid
CAS Name: 2-[(5-ethylsulfonyl-2-hydroxyanilino)-oxomethyl]benzoic acid
IUPAC NAME: 2-[(5-ethylsulfonyl-2-hydroxyphenyl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[(5-ethylsulfonyl-2-oxidanyl-phenyl)carbamoyl]benzoic acid
MOLECULAR FORMULA: C16H15NO6S
MOLECULAR WEIGHT: 349.3584
SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC=CC=C2C(=O)O
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Product OPENEYE NAME: 2-[2-(5-ethylsulfonyl-2-hydroxy-anilino)-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-(5-ethylsulfonyl-2-hydroxyanilino)-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-(5-ethylsulfonyl-2-hydroxyanilino)-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C12H15NO6S2
MOLECULAR WEIGHT: 333.3806
SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CSCC(=O)O
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Product OPENEYE NAME: 2-[1-[2-(5-ethylsulfonyl-2-hydroxy-anilino)-2-oxo-ethyl]cyclopentyl]acetic acid
CAS Name: 2-[1-[2-(5-ethylsulfonyl-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
IUPAC NAME: 2-[1-[2-(5-ethylsulfonyl-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
SYSTEMATIC NAME: 2-[1-[2-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclopentyl]ethanoic acid
MOLECULAR FORMULA: C17H23NO6S
MOLECULAR WEIGHT: 369.43262
SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CC2(CCCC2)CC(=O)O
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Product OPENEYE NAME: 1-(5-ethylsulfonyl-2-hydroxy-phenyl)-3-(1-naphthyl)urea
CAS Name: 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(1-naphthalenyl)urea
IUPAC NAME: 1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1-(5-ethylsulfonyl-2-oxidanyl-phenyl)-3-naphthalen-1-yl-urea
MOLECULAR FORMULA: C19H18N2O4S
MOLECULAR WEIGHT: 370.42222
SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)NC2=CC=CC3=CC=CC=C32
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