Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 5-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-2,1,3-benzoxadiazole
CAS Name: 5-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
IUPAC NAME: 5-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-2,1,3-benzoxadiazole
SYSTEMATIC NAME: 5-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
MOLECULAR FORMULA: C16H13N5OS
MOLECULAR WEIGHT: 323.37232
SMILES: CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 5-[5-[(3,5-difluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
CAS Name: 5-[5-[(3,5-difluorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
IUPAC NAME: 5-[5-[(3,5-difluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
SYSTEMATIC NAME: 5-[5-[[3,5-bis(fluoranyl)phenyl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2,1,3-benzoxadiazole
MOLECULAR FORMULA: C16H11F2N5OS
MOLECULAR WEIGHT: 359.353246
SMILES: CN1C(=NN=C1SCC2=CC(=CC(=C2)F)F)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfinylphenyl)-7H-purine-2,6-dione
CAS Name: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfinylphenyl)-7H-purine-2,6-dione
IUPAC NAME: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfinylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]-3-(2-methylsulfinylphenyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C19H15FN4O3S
MOLECULAR WEIGHT: 398.410803
SMILES: CS(=O)C1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4F)NC=N3
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Product OPENEYE NAME: 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CAS Name: 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-[(2-fluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H13F4N3O2
MOLECULAR WEIGHT: 379.308333
SMILES: C1=CC=C(C(=C1)CN2C(=O)C=C(N(C2=O)C3=CC=CC=C3C(F)(F)F)N)F
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Product OPENEYE NAME: 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione
CAS Name: 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione
IUPAC NAME: 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C19H12F4N4O2
MOLECULAR WEIGHT: 404.317793
SMILES: C1=CC=C(C(=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4C(F)(F)F)F
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Product OPENEYE NAME: 1-(2,1,3-benzoxadiazol-5-yl)-3-phenyl-urea
CAS Name: 1-(2,1,3-benzoxadiazol-5-yl)-3-phenylurea
IUPAC NAME: 1-(2,1,3-benzoxadiazol-5-yl)-3-phenylurea
SYSTEMATIC NAME: 1-(2,1,3-benzoxadiazol-5-yl)-3-phenyl-urea
MOLECULAR FORMULA: C13H10N4O2
MOLECULAR WEIGHT: 254.2441
SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC3=NON=C3C=C2
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Product OPENEYE NAME: 3-(2-aminophenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
CAS Name: 3-(2-aminophenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
IUPAC NAME: 3-(2-aminophenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-aminophenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C18H14FN5O2
MOLECULAR WEIGHT: 351.334463
SMILES: C1=CC=C(C(=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4N)F
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Product OPENEYE NAME: 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-methoxyphenyl)urea
CAS Name: 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-methoxyphenyl)urea
IUPAC NAME: 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-methoxyphenyl)urea
SYSTEMATIC NAME: 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-methoxyphenyl)urea
MOLECULAR FORMULA: C14H12N4O3
MOLECULAR WEIGHT: 284.27008
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=NON=C3C=C2
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Product OPENEYE NAME: 1-(2,1,3-benzoxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CAS Name: 1-(2,1,3-benzoxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-(2,1,3-benzoxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(2,1,3-benzoxadiazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C14H9F3N4O2
MOLECULAR WEIGHT: 322.24207
SMILES: C1=CC(=CC(=C1)NC(=O)NC2=CC3=NON=C3C=C2)C(F)(F)F
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Product OPENEYE NAME: N-[[3-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
CAS Name: N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]-2,1,3-benzoxadiazole-5-carboxamide
IUPAC NAME: N-[[3-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
SYSTEMATIC NAME: N-[[3-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
MOLECULAR FORMULA: C15H9F3N4O2S
MOLECULAR WEIGHT: 366.31777
SMILES: C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2)C(F)(F)F
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Product OPENEYE NAME: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(methylthio)-1,3,5-triazin-2-amine
IUPAC NAME: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C12H12N4O2S
MOLECULAR WEIGHT: 276.31428
SMILES: CSC1=NC(=NC(=N1)N)C2COC3=CC=CC=C3O2
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Product OPENEYE NAME: N-allyl-2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide
MOLECULAR FORMULA: C14H14N6O2S
MOLECULAR WEIGHT: 330.36496
SMILES: CN1C(=NN=C1SCC(=O)NCC=C)C2=CC3=NON=C3C=C2
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Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide
MOLECULAR FORMULA: C20H20N6O2S
MOLECULAR WEIGHT: 408.4768
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C18H16N6O3S
MOLECULAR WEIGHT: 396.42304
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide
CAS Name: N-(2,1,3-benzoxadiazol-5-yl)-4-morpholinecarboxamide
IUPAC NAME: N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide
SYSTEMATIC NAME: N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide
MOLECULAR FORMULA: C11H12N4O3
MOLECULAR WEIGHT: 248.23798
SMILES: C1COCCN1C(=O)NC2=CC3=NON=C3C=C2
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Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]acetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide
MOLECULAR FORMULA: C18H16N6O2S2
MOLECULAR WEIGHT: 412.48864
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2,4-dichlorophenyl)acetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)ethanamide
MOLECULAR FORMULA: C17H12Cl2N6O2S
MOLECULAR WEIGHT: 435.28718
SMILES: CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)Cl)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C18H13F3N6O2S
MOLECULAR WEIGHT: 434.39503
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2,4-difluorophenyl)acetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2,4-bis(fluoranyl)phenyl]ethanamide
MOLECULAR FORMULA: C17H12F2N6O2S
MOLECULAR WEIGHT: 402.377986
SMILES: CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 4-amino-2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidine-5-carbonitrile
CAS Name: 4-amino-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-pyrimidinecarbonitrile
IUPAC NAME: 4-amino-2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-azanyl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C13H10N4O2
MOLECULAR WEIGHT: 254.2441
SMILES: C1C(OC2=CC=CC=C2O1)C3=NC=C(C(=N3)N)C#N
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