Saturday, October 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CAS Name: 1-(5-methyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
MOLECULAR FORMULA: C15H19N3O2S
MOLECULAR WEIGHT: 305.39526
SMILES: CCOC(=O)C1CCN(CC1)C2=C3C(=CSC3=NC=N2)C
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Product OPENEYE NAME: 1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CAS Name: 1-(5-methyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxylic acid
IUPAC NAME: 1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
MOLECULAR FORMULA: C13H15N3O2S
MOLECULAR WEIGHT: 277.3421
SMILES: CC1=CSC2=NC=NC(=C12)N3CCC(CC3)C(=O)O
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Product OPENEYE NAME: ethyl 1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxylate
CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(6,7-dimethoxyquinazolin-4-yl)piperidine-4-carboxylate
MOLECULAR FORMULA: C18H23N3O4
MOLECULAR WEIGHT: 345.39292
SMILES: CCOC(=O)C1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OC)OC
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Product OPENEYE NAME: methyl 2-[[2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-4,5-dimethoxy-benzoate
CAS Name: 2-[[[2-(dimethylamino)-4-(trifluoromethyl)-5-pyrimidinyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester
IUPAC NAME: methyl 2-[[2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-4,5-dimethoxybenzoate
SYSTEMATIC NAME: methyl 2-[[2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]carbonylamino]-4,5-dimethoxy-benzoate
MOLECULAR FORMULA: C18H19F3N4O5
MOLECULAR WEIGHT: 428.36247
SMILES: CN(C)C1=NC=C(C(=N1)C(F)(F)F)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC
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Product OPENEYE NAME: 2,5-dimethyl-N-(3-morpholinopropyl)-4-nitro-pyrazol-3-amine
CAS Name: 2,5-dimethyl-N-[3-(4-morpholinyl)propyl]-4-nitro-3-pyrazolamine
IUPAC NAME: 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
SYSTEMATIC NAME: 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitro-pyrazol-3-amine
MOLECULAR FORMULA: C12H21N5O3
MOLECULAR WEIGHT: 283.32684
SMILES: CC1=NN(C(=C1[N+](=O)[O-])NCCCN2CCOCC2)C
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Product OPENEYE NAME: 1-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]piperidine-4-carboxylic acid
CAS Name: 1-[6,7-bis(2-methoxyethoxy)-4-quinazolinyl]-4-piperidinecarboxylic acid
IUPAC NAME: 1-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C20H27N3O6
MOLECULAR WEIGHT: 405.44488
SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)C(=O)O)OCCOC
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Product OPENEYE NAME: 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CAS Name: 3-[(4-sulfamoylphenyl)sulfamoyl]-2-thiophenecarboxylic acid
IUPAC NAME: 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(4-sulfamoylphenyl)sulfamoyl]thiophene-2-carboxylic acid
MOLECULAR FORMULA: C11H10N2O6S3
MOLECULAR WEIGHT: 362.4019
SMILES: C1=CC(=CC=C1NS(=O)(=O)C2=C(SC=C2)C(=O)O)S(=O)(=O)N
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Product OPENEYE NAME: 4-butyl-N-[2-[(4-butylbenzoyl)amino]ethyl]benzamide
CAS Name: 4-butyl-N-[2-[[(4-butylphenyl)-oxomethyl]amino]ethyl]benzamide
IUPAC NAME: 4-butyl-N-[2-[(4-butylbenzoyl)amino]ethyl]benzamide
SYSTEMATIC NAME: 4-butyl-N-[2-[(4-butylphenyl)carbonylamino]ethyl]benzamide
MOLECULAR FORMULA: C24H32N2O2
MOLECULAR WEIGHT: 380.52308
SMILES: CCCCC1=CC=C(C=C1)C(=O)NCCNC(=O)C2=CC=C(C=C2)CCCC
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Product OPENEYE NAME: methyl 2-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
CAS Name: 2-[[1-oxo-2-(3-oxo-2-piperazinyl)ethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[2-(3-oxidanylidenepiperazin-2-yl)ethanoylamino]benzoate
MOLECULAR FORMULA: C14H17N3O4
MOLECULAR WEIGHT: 291.30248
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CC2C(=O)NCCN2
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Product OPENEYE NAME: N-(2,5-dichlorophenyl)-2-(3-oxopiperazin-2-yl)acetamide
CAS Name: N-(2,5-dichlorophenyl)-2-(3-oxo-2-piperazinyl)acetamide
IUPAC NAME: N-(2,5-dichlorophenyl)-2-(3-oxopiperazin-2-yl)acetamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)phenyl]-2-(3-oxidanylidenepiperazin-2-yl)ethanamide
MOLECULAR FORMULA: C12H13Cl2N3O2
MOLECULAR WEIGHT: 302.15652
SMILES: C1CNC(=O)C(N1)CC(=O)NC2=C(C=CC(=C2)Cl)Cl
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Product OPENEYE NAME: N-(2,5-dichlorophenyl)-2-(3-oxo-1,4-diazepan-2-yl)acetamide
CAS Name: N-(2,5-dichlorophenyl)-2-(3-oxo-1,4-diazepan-2-yl)acetamide
IUPAC NAME: N-(2,5-dichlorophenyl)-2-(3-oxo-1,4-diazepan-2-yl)acetamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)phenyl]-2-(3-oxidanylidene-1,4-diazepan-2-yl)ethanamide
MOLECULAR FORMULA: C13H15Cl2N3O2
MOLECULAR WEIGHT: 316.1831
SMILES: C1CNC(C(=O)NC1)CC(=O)NC2=C(C=CC(=C2)Cl)Cl
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Product OPENEYE NAME: methyl 3-[[2-(3-oxopiperazin-2-yl)acetyl]amino]thiophene-2-carboxylate
CAS Name: 3-[[1-oxo-2-(3-oxo-2-piperazinyl)ethyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[2-(3-oxopiperazin-2-yl)acetyl]amino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[2-(3-oxidanylidenepiperazin-2-yl)ethanoylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C12H15N3O4S
MOLECULAR WEIGHT: 297.3302
SMILES: COC(=O)C1=C(C=CS1)NC(=O)CC2C(=O)NCCN2
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]acetamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]acetamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]ethanamide
MOLECULAR FORMULA: C14H12N2OS2
MOLECULAR WEIGHT: 288.38788
SMILES: CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-2,2,2-trifluoro-acetamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-2,2,2-trifluoroacetamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C14H9F3N2OS2
MOLECULAR WEIGHT: 342.35927
SMILES: CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C(F)(F)F
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Product OPENEYE NAME: [4-(2,3-dihydrobenzofuran-5-carbonyl)piperazin-1-yl]-(2,3-dihydrobenzofuran-5-yl)methanone
CAS Name: 2,3-dihydrobenzofuran-5-yl-[4-[2,3-dihydrobenzofuran-5-yl(oxo)methyl]-1-piperazinyl]methanone
IUPAC NAME: [4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
SYSTEMATIC NAME: 2,3-dihydro-1-benzofuran-5-yl-[4-(2,3-dihydro-1-benzofuran-5-ylcarbonyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C22H22N2O4
MOLECULAR WEIGHT: 378.42108
SMILES: C1COC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCC5
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Product OPENEYE NAME: N-(3-cyano-2-thienyl)-2,3-dihydrobenzofuran-5-carboxamide
CAS Name: N-(3-cyano-2-thiophenyl)-2,3-dihydrobenzofuran-5-carboxamide
IUPAC NAME: N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SYSTEMATIC NAME: N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
MOLECULAR FORMULA: C14H10N2O2S
MOLECULAR WEIGHT: 270.3064
SMILES: C1COC2=C1C=C(C=C2)C(=O)NC3=C(C=CS3)C#N
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-4-chloro-benzenesulfonamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-4-chlorobenzenesulfonamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-4-chlorobenzenesulfonamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-4-chloranyl-benzenesulfonamide
MOLECULAR FORMULA: C18H13ClN2O2S3
MOLECULAR WEIGHT: 420.95602
SMILES: CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-butyl-2-methyl-5-(1-piperidylsulfonyl)furan-3-carboxamide
CAS Name: N-butyl-2-methyl-5-(1-piperidinylsulfonyl)-3-furancarboxamide
IUPAC NAME: N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide
SYSTEMATIC NAME: N-butyl-2-methyl-5-piperidin-1-ylsulfonyl-furan-3-carboxamide
MOLECULAR FORMULA: C15H24N2O4S
MOLECULAR WEIGHT: 328.42706
SMILES: CCCCNC(=O)C1=C(OC(=C1)S(=O)(=O)N2CCCCC2)C
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Product OPENEYE NAME: N-(4-fluorophenyl)-2-methyl-5-(1-piperidylsulfonyl)furan-3-carboxamide
CAS Name: N-(4-fluorophenyl)-2-methyl-5-(1-piperidinylsulfonyl)-3-furancarboxamide
IUPAC NAME: N-(4-fluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-methyl-5-piperidin-1-ylsulfonyl-furan-3-carboxamide
MOLECULAR FORMULA: C17H19FN2O4S
MOLECULAR WEIGHT: 366.407163
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-yl)-2-methyl-5-(1-piperidylsulfonyl)furan-3-carboxamide
CAS Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-(1-piperidinylsulfonyl)-3-furancarboxamide
IUPAC NAME: N-(1,3-benzodioxol-5-yl)-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)-2-methyl-5-piperidin-1-ylsulfonyl-furan-3-carboxamide
MOLECULAR FORMULA: C18H20N2O6S
MOLECULAR WEIGHT: 392.4262
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 2-methyl-N-phenyl-5-(1-piperidylsulfonyl)furan-3-carboxamide
CAS Name: 2-methyl-N-phenyl-5-(1-piperidinylsulfonyl)-3-furancarboxamide
IUPAC NAME: 2-methyl-N-phenyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide
SYSTEMATIC NAME: 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-furan-3-carboxamide
MOLECULAR FORMULA: C17H20N2O4S
MOLECULAR WEIGHT: 348.4167
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: methyl 3-[[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]sulfamoyl]thiophene-2-carboxylate
CAS Name: 3-[[[[1-(4-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]amino]sulfamoyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]sulfamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]sulfamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C17H12ClF3N4O5S2
MOLECULAR WEIGHT: 508.87919
SMILES: COC(=O)C1=C(C=CS1)S(=O)(=O)NNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F
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Product OPENEYE NAME: methyl 3-[(6-chloro-2H-chromene-3-carbonyl)amino]-4-methyl-thiophene-2-carboxylate
CAS Name: 3-[[(6-chloro-2H-1-benzopyran-3-yl)-oxomethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[(6-chloro-2H-chromene-3-carbonyl)amino]-4-methylthiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(6-chloranyl-2H-chromen-3-yl)carbonylamino]-4-methyl-thiophene-2-carboxylate
MOLECULAR FORMULA: C17H14ClNO4S
MOLECULAR WEIGHT: 363.81536
SMILES: CC1=CSC(=C1NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)C(=O)OC
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