Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-benzyl-3-phenyl-7H-purine-2,6-dione
CAS Name: 3-phenyl-1-(phenylmethyl)-7H-purine-2,6-dione
IUPAC NAME: 1-benzyl-3-phenyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-phenyl-1-(phenylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C18H14N4O2
MOLECULAR WEIGHT: 318.32936
SMILES: C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-cyano-N-(o-tolylcarbamoyl)-N-(2-thienylmethyl)acetamide
CAS Name: 2-cyano-N-[(2-methylanilino)-oxomethyl]-N-(thiophen-2-ylmethyl)acetamide
IUPAC NAME: 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C16H15N3O2S
MOLECULAR WEIGHT: 313.3742
SMILES: CC1=CC=CC=C1NC(=O)N(CC2=CC=CS2)C(=O)CC#N
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Product OPENEYE NAME: 1-benzyl-3-(4-chlorophenyl)-7H-purine-2,6-dione
CAS Name: 3-(4-chlorophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
IUPAC NAME: 1-benzyl-3-(4-chlorophenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C18H13ClN4O2
MOLECULAR WEIGHT: 352.77442
SMILES: C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CAS Name: 1-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]urea
MOLECULAR FORMULA: C14H12ClFN2O
MOLECULAR WEIGHT: 278.709283
SMILES: C1=CC=C(C(=C1)CNC(=O)NC2=CC=C(C=C2)Cl)F
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Product OPENEYE NAME: 6-amino-1-(o-tolyl)-3-(2-thienylmethyl)pyrimidine-2,4-dione
CAS Name: 6-amino-1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
IUPAC NAME: 6-amino-1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C16H15N3O2S
MOLECULAR WEIGHT: 313.3742
SMILES: CC1=CC=CC=C1N2C(=CC(=O)N(C2=O)CC3=CC=CS3)N
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Product OPENEYE NAME: 2-cyano-N-(2-furylmethyl)-N-(o-tolylcarbamoyl)acetamide
CAS Name: 2-cyano-N-(2-furanylmethyl)-N-[(2-methylanilino)-oxomethyl]acetamide
IUPAC NAME: 2-cyano-N-(furan-2-ylmethyl)-N-[(2-methylphenyl)carbamoyl]acetamide
SYSTEMATIC NAME: 2-cyano-N-(furan-2-ylmethyl)-N-[(2-methylphenyl)carbamoyl]ethanamide
MOLECULAR FORMULA: C16H15N3O3
MOLECULAR WEIGHT: 297.3086
SMILES: CC1=CC=CC=C1NC(=O)N(CC2=CC=CO2)C(=O)CC#N
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Product OPENEYE NAME: 6-amino-3-(2-furylmethyl)-1-(o-tolyl)pyrimidine-2,4-dione
CAS Name: 6-amino-3-(2-furanylmethyl)-1-(2-methylphenyl)pyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-(furan-2-ylmethyl)-1-(2-methylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C16H15N3O3
MOLECULAR WEIGHT: 297.3086
SMILES: CC1=CC=CC=C1N2C(=CC(=O)N(C2=O)CC3=CC=CO3)N
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Product OPENEYE NAME: 1-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]urea
CAS Name: 1-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]urea
IUPAC NAME: 1-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]urea
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]urea
MOLECULAR FORMULA: C14H12F2N2O
MOLECULAR WEIGHT: 262.254686
SMILES: C1=CC=C(C(=C1)CNC(=O)NC2=CC=CC=C2F)F
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Product OPENEYE NAME: 3-butoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CAS Name: 3-butoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
IUPAC NAME: 3-butoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
SYSTEMATIC NAME: 3-butoxy-4-[(3-methoxyphenyl)amino]cyclobut-3-ene-1,2-dione
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CCCCOC1=C(C(=O)C1=O)NC2=CC(=CC=C2)OC
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Product OPENEYE NAME: 1-cyclohexyl-3-[(2-fluorophenyl)methyl]urea
CAS Name: 1-cyclohexyl-3-[(2-fluorophenyl)methyl]urea
IUPAC NAME: 1-cyclohexyl-3-[(2-fluorophenyl)methyl]urea
SYSTEMATIC NAME: 1-cyclohexyl-3-[(2-fluorophenyl)methyl]urea
MOLECULAR FORMULA: C14H19FN2O
MOLECULAR WEIGHT: 250.311863
SMILES: C1CCC(CC1)NC(=O)NCC2=CC=CC=C2F
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Product OPENEYE NAME: 3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CAS Name: 3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
IUPAC NAME: 3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
SYSTEMATIC NAME: 3-ethoxy-4-[(3-methoxyphenyl)amino]cyclobut-3-ene-1,2-dione
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: CCOC1=C(C(=O)C1=O)NC2=CC(=CC=C2)OC
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Product OPENEYE NAME: 6-amino-3-benzyl-1-(o-tolyl)pyrimidine-2,4-dione
CAS Name: 6-amino-1-(2-methylphenyl)-3-(phenylmethyl)pyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(2-methylphenyl)-3-(phenylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H17N3O2
MOLECULAR WEIGHT: 307.34648
SMILES: CC1=CC=CC=C1N2C(=CC(=O)N(C2=O)CC3=CC=CC=C3)N
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Product OPENEYE NAME: 2-cyano-N-(cyclohexylcarbamoyl)-N-[(2-fluorophenyl)methyl]acetamide
CAS Name: 2-cyano-N-[(cyclohexylamino)-oxomethyl]-N-[(2-fluorophenyl)methyl]acetamide
IUPAC NAME: 2-cyano-N-(cyclohexylcarbamoyl)-N-[(2-fluorophenyl)methyl]acetamide
SYSTEMATIC NAME: 2-cyano-N-(cyclohexylcarbamoyl)-N-[(2-fluorophenyl)methyl]ethanamide
MOLECULAR FORMULA: C17H20FN3O2
MOLECULAR WEIGHT: 317.358003
SMILES: C1CCC(CC1)NC(=O)N(CC2=CC=CC=C2F)C(=O)CC#N
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Product OPENEYE NAME: 1-benzyl-3-(o-tolyl)-7H-purine-2,6-dione
CAS Name: 3-(2-methylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
IUPAC NAME: 1-benzyl-3-(2-methylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C19H16N4O2
MOLECULAR WEIGHT: 332.35594
SMILES: CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3
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Product OPENEYE NAME: 3-(o-tolyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-dione
CAS Name: 3-(2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-dione
IUPAC NAME: 3-(2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H15F3N4O2
MOLECULAR WEIGHT: 400.35391
SMILES: CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4C(F)(F)F)NC=N3
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Product OPENEYE NAME: 6-amino-1-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
CAS Name: 6-amino-1-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
IUPAC NAME: 6-amino-1-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C17H13F2N3O2
MOLECULAR WEIGHT: 329.300826
SMILES: C1=CC=C(C(=C1)CN2C(=O)C=C(N(C2=O)C3=CC=CC=C3F)N)F
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Product OPENEYE NAME: 1-[(2-fluorophenyl)methyl]-3-(2-nitrophenyl)urea
CAS Name: 1-[(2-fluorophenyl)methyl]-3-(2-nitrophenyl)urea
IUPAC NAME: 1-[(2-fluorophenyl)methyl]-3-(2-nitrophenyl)urea
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]-3-(2-nitrophenyl)urea
MOLECULAR FORMULA: C14H12FN3O3
MOLECULAR WEIGHT: 289.261783
SMILES: C1=CC=C(C(=C1)CNC(=O)NC2=CC=CC=C2[N+](=O)[O-])F
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Product OPENEYE NAME: 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
CAS Name: 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
IUPAC NAME: 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C18H12F2N4O2
MOLECULAR WEIGHT: 354.310286
SMILES: C1=CC=C(C(=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4F)F
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Product OPENEYE NAME: 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CAS Name: 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C15H12F4N2O
MOLECULAR WEIGHT: 312.262193
SMILES: C1=CC=C(C(=C1)CNC(=O)NC2=CC=CC=C2C(F)(F)F)F
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Product OPENEYE NAME: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
CAS Name: 1-[(2-fluorophenyl)methyl]-3-[2-(methylthio)phenyl]urea
IUPAC NAME: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
MOLECULAR FORMULA: C15H15FN2OS
MOLECULAR WEIGHT: 290.355803
SMILES: CSC1=CC=CC=C1NC(=O)NCC2=CC=CC=C2F
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Product OPENEYE NAME: 2-cyano-N-(o-tolylcarbamoyl)acetamide
CAS Name: 2-cyano-N-[(2-methylanilino)-oxomethyl]acetamide
IUPAC NAME: 2-cyano-N-[(2-methylphenyl)carbamoyl]acetamide
SYSTEMATIC NAME: 2-cyano-N-[(2-methylphenyl)carbamoyl]ethanamide
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: CC1=CC=CC=C1NC(=O)NC(=O)CC#N
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Product OPENEYE NAME: 6-amino-3-[(2-fluorophenyl)methyl]-1-(2-methylsulfanylphenyl)pyrimidine-2,4-dione
CAS Name: 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(methylthio)phenyl]pyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-[(2-fluorophenyl)methyl]-1-(2-methylsulfanylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-[(2-fluorophenyl)methyl]-1-(2-methylsulfanylphenyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H16FN3O2S
MOLECULAR WEIGHT: 357.401943
SMILES: CSC1=CC=CC=C1N2C(=CC(=O)N(C2=O)CC3=CC=CC=C3F)N
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Product OPENEYE NAME: 5-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
CAS Name: 5-[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
IUPAC NAME: 5-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
SYSTEMATIC NAME: 5-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
MOLECULAR FORMULA: C16H12ClN5OS
MOLECULAR WEIGHT: 357.81738
SMILES: CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 5-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
CAS Name: 5-[5-[(2,6-dichlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
IUPAC NAME: 5-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
SYSTEMATIC NAME: 5-[5-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
MOLECULAR FORMULA: C16H11Cl2N5OS
MOLECULAR WEIGHT: 392.26244
SMILES: CN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC4=NON=C4C=C3
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