Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-(1H-indol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
IUPAC NAME: N-[2-(1H-indol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[2-(1H-indol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
MOLECULAR FORMULA: C16H14N4O2S2
MOLECULAR WEIGHT: 358.43796
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNS(=O)(=O)C3=CC=CC4=NSN=C43
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Product OPENEYE NAME: 1-benzyl-3-(5-methoxy-2-methyl-phenyl)urea
CAS Name: 1-(5-methoxy-2-methylphenyl)-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-(5-methoxy-2-methylphenyl)urea
SYSTEMATIC NAME: 1-(5-methoxy-2-methyl-phenyl)-3-(phenylmethyl)urea
MOLECULAR FORMULA: C16H18N2O2
MOLECULAR WEIGHT: 270.32632
SMILES: CC1=C(C=C(C=C1)OC)NC(=O)NCC2=CC=CC=C2
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Product OPENEYE NAME: 1-benzyl-3-(2,6-dimethylphenyl)urea
CAS Name: 1-(2,6-dimethylphenyl)-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-(2,6-dimethylphenyl)urea
SYSTEMATIC NAME: 1-(2,6-dimethylphenyl)-3-(phenylmethyl)urea
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CC1=C(C(=CC=C1)C)NC(=O)NCC2=CC=CC=C2
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Product OPENEYE NAME: 1-(2-furylmethyl)-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea
CAS Name: 1-(2-furanylmethyl)-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-(3-oxo-1H-2-benzofuran-5-yl)thiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-(3-oxidanylidene-1H-2-benzofuran-5-yl)thiourea
MOLECULAR FORMULA: C14H12N2O3S
MOLECULAR WEIGHT: 288.32168
SMILES: C1C2=C(C=C(C=C2)NC(=S)NCC3=CC=CO3)C(=O)O1
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea
CAS Name: 1-(4-chlorophenyl)-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea
IUPAC NAME: 1-(4-chlorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)thiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(3-oxidanylidene-1H-2-benzofuran-5-yl)thiourea
MOLECULAR FORMULA: C15H11ClN2O2S
MOLECULAR WEIGHT: 318.77804
SMILES: C1C2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)Cl)C(=O)O1
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Product OPENEYE NAME: ethyl N-(5-bromo-3-pyridyl)carbamate
CAS Name: N-(5-bromo-3-pyridinyl)carbamic acid ethyl ester
IUPAC NAME: ethyl N-(5-bromopyridin-3-yl)carbamate
SYSTEMATIC NAME: ethyl N-(5-bromanylpyridin-3-yl)carbamate
MOLECULAR FORMULA: C8H9BrN2O2
MOLECULAR WEIGHT: 245.07326
SMILES: CCOC(=O)NC1=CC(=CN=C1)Br
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Product OPENEYE NAME: 3-(o-tolyl)-1-propyl-7H-purine-2,6-dione
CAS Name: 3-(2-methylphenyl)-1-propyl-7H-purine-2,6-dione
IUPAC NAME: 3-(2-methylphenyl)-1-propyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methylphenyl)-1-propyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: CCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC=CC=C3C
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Product OPENEYE NAME: N-benzyl-2-cyano-N-[(2,6-dimethylphenyl)carbamoyl]acetamide
CAS Name: 2-cyano-N-[(2,6-dimethylanilino)-oxomethyl]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-cyano-N-[(2,6-dimethylphenyl)carbamoyl]acetamide
SYSTEMATIC NAME: 2-cyano-N-[(2,6-dimethylphenyl)carbamoyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C19H19N3O2
MOLECULAR WEIGHT: 321.37306
SMILES: CC1=C(C(=CC=C1)C)NC(=O)N(CC2=CC=CC=C2)C(=O)CC#N
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Product OPENEYE NAME: 1-(3-pyridylmethyl)piperidine-4-carbohydrazide
CAS Name: 1-(3-pyridinylmethyl)-4-piperidinecarbohydrazide
IUPAC NAME: 1-(pyridin-3-ylmethyl)piperidine-4-carbohydrazide
SYSTEMATIC NAME: 1-(pyridin-3-ylmethyl)piperidine-4-carbohydrazide
MOLECULAR FORMULA: C12H18N4O
MOLECULAR WEIGHT: 234.29752
SMILES: C1CN(CCC1C(=O)NN)CC2=CN=CC=C2
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea
CAS Name: 1-(4-fluorophenyl)-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea
IUPAC NAME: 1-(4-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-(3-oxidanylidene-1H-2-benzofuran-5-yl)thiourea
MOLECULAR FORMULA: C15H11FN2O2S
MOLECULAR WEIGHT: 302.323443
SMILES: C1C2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)F)C(=O)O1
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Product OPENEYE NAME: 6-amino-3-benzyl-1-(2,6-dimethylphenyl)pyrimidine-2,4-dione
CAS Name: 6-amino-1-(2,6-dimethylphenyl)-3-(phenylmethyl)pyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-benzyl-1-(2,6-dimethylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(2,6-dimethylphenyl)-3-(phenylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H19N3O2
MOLECULAR WEIGHT: 321.37306
SMILES: CC1=C(C(=CC=C1)C)N2C(=CC(=O)N(C2=O)CC3=CC=CC=C3)N
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Product OPENEYE NAME: 4-indolin-1-ylsulfonyl-2,1,3-benzothiadiazole
CAS Name: 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole
IUPAC NAME: 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole
SYSTEMATIC NAME: 4-(2,3-dihydroindol-1-ylsulfonyl)-2,1,3-benzothiadiazole
MOLECULAR FORMULA: C14H11N3O2S2
MOLECULAR WEIGHT: 317.38604
SMILES: C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC4=NSN=C43
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Product OPENEYE NAME: 6-amino-3-benzyl-1-(5-methoxy-2-methyl-phenyl)pyrimidine-2,4-dione
CAS Name: 6-amino-1-(5-methoxy-2-methylphenyl)-3-(phenylmethyl)pyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-benzyl-1-(5-methoxy-2-methylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(5-methoxy-2-methyl-phenyl)-3-(phenylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H19N3O3
MOLECULAR WEIGHT: 337.37246
SMILES: CC1=C(C=C(C=C1)OC)N2C(=CC(=O)N(C2=O)CC3=CC=CC=C3)N
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Product OPENEYE NAME: [2-[1-(3-chlorobenzoyl)imidazol-2-yl]-1-(3-chlorophenyl)vinyl] 3-chlorobenzoate
CAS Name: 3-chlorobenzoic acid [1-(3-chlorophenyl)-2-[1-[(3-chlorophenyl)-oxomethyl]-2-imidazolyl]ethenyl] ester
IUPAC NAME: [2-[1-(3-chlorobenzoyl)imidazol-2-yl]-1-(3-chlorophenyl)ethenyl] 3-chlorobenzoate
SYSTEMATIC NAME: [1-(3-chlorophenyl)-2-[1-(3-chlorophenyl)carbonylimidazol-2-yl]ethenyl] 3-chloranylbenzoate
MOLECULAR FORMULA: C25H15Cl3N2O3
MOLECULAR WEIGHT: 497.7572
SMILES: C1=CC(=CC(=C1)Cl)C(=CC2=NC=CN2C(=O)C3=CC(=CC=C3)Cl)OC(=O)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: [2-[1-(4-methoxybenzoyl)imidazol-2-yl]-1-(4-methoxyphenyl)vinyl] 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid [1-(4-methoxyphenyl)-2-[1-[(4-methoxyphenyl)-oxomethyl]-2-imidazolyl]ethenyl] ester
IUPAC NAME: [2-[1-(4-methoxybenzoyl)imidazol-2-yl]-1-(4-methoxyphenyl)ethenyl] 4-methoxybenzoate
SYSTEMATIC NAME: [1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)carbonylimidazol-2-yl]ethenyl] 4-methoxybenzoate
MOLECULAR FORMULA: C28H24N2O6
MOLECULAR WEIGHT: 484.49996
SMILES: COC1=CC=C(C=C1)C(=CC2=NC=CN2C(=O)C3=CC=C(C=C3)OC)OC(=O)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 1-benzyl-3-(5-methoxy-2-methyl-phenyl)-7H-purine-2,6-dione
CAS Name: 3-(5-methoxy-2-methylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
IUPAC NAME: 1-benzyl-3-(5-methoxy-2-methylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(5-methoxy-2-methyl-phenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H18N4O3
MOLECULAR WEIGHT: 362.38192
SMILES: CC1=C(C=C(C=C1)OC)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3
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Product OPENEYE NAME: [2-[1-(4-chlorobenzoyl)imidazol-2-yl]-1-(4-chlorophenyl)vinyl] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [1-(4-chlorophenyl)-2-[1-[(4-chlorophenyl)-oxomethyl]-2-imidazolyl]ethenyl] ester
IUPAC NAME: [2-[1-(4-chlorobenzoyl)imidazol-2-yl]-1-(4-chlorophenyl)ethenyl] 4-chlorobenzoate
SYSTEMATIC NAME: [1-(4-chlorophenyl)-2-[1-(4-chlorophenyl)carbonylimidazol-2-yl]ethenyl] 4-chloranylbenzoate
MOLECULAR FORMULA: C25H15Cl3N2O3
MOLECULAR WEIGHT: 497.7572
SMILES: C1=CC(=CC=C1C(=CC2=NC=CN2C(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl)Cl
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Product OPENEYE NAME: N-(phenylcarbamothioyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
CAS Name: N-[anilino(sulfanylidene)methyl]-5-(2-phenylethynyl)-3-pyridinecarboxamide
IUPAC NAME: N-(phenylcarbamothioyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(phenylcarbamothioyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C21H15N3OS
MOLECULAR WEIGHT: 357.4283
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)NC(=S)NC3=CC=CC=C3
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