Monday, October 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(3-methylsulfanylphenyl)-2-morpholino-acetamide
CAS Name: N-[3-(methylthio)phenyl]-2-(4-morpholinyl)acetamide
IUPAC NAME: N-(3-methylsulfanylphenyl)-2-morpholin-4-ylacetamide
SYSTEMATIC NAME: N-(3-methylsulfanylphenyl)-2-morpholin-4-yl-ethanamide
MOLECULAR FORMULA: C13H18N2O2S
MOLECULAR WEIGHT: 266.35922
SMILES: CSC1=CC=CC(=C1)NC(=O)CN2CCOCC2
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Product OPENEYE NAME: N-[2-[(1-benzyl-4-piperidyl)amino]phenyl]-4-fluoro-benzenesulfonamide
CAS Name: 4-fluoro-N-[2-[[1-(phenylmethyl)-4-piperidinyl]amino]phenyl]benzenesulfonamide
IUPAC NAME: N-[2-[(1-benzylpiperidin-4-yl)amino]phenyl]-4-fluorobenzenesulfonamide
SYSTEMATIC NAME: 4-fluoranyl-N-[2-[[1-(phenylmethyl)piperidin-4-yl]amino]phenyl]benzenesulfonamide
MOLECULAR FORMULA: C24H26FN3O2S
MOLECULAR WEIGHT: 439.545543
SMILES: C1CN(CCC1NC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4
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Product OPENEYE NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CAS Name: 2-[(4-chlorophenyl)methylthio]-N-[3-(methylthio)phenyl]acetamide
IUPAC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)ethanamide
MOLECULAR FORMULA: C16H16ClNOS2
MOLECULAR WEIGHT: 337.88734
SMILES: CSC1=CC=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 5-(4-fluorophenyl)-3-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]-1,2,4-oxadiazole
CAS Name: 5-(4-fluorophenyl)-3-[2-(2-methyl-4-nitro-1-imidazolyl)ethyl]-1,2,4-oxadiazole
IUPAC NAME: 5-(4-fluorophenyl)-3-[2-(2-methyl-4-nitroimidazol-1-yl)ethyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(4-fluorophenyl)-3-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C14H12FN5O3
MOLECULAR WEIGHT: 317.275183
SMILES: CC1=NC(=CN1CCC2=NOC(=N2)C3=CC=C(C=C3)F)[N+](=O)[O-]
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Product OPENEYE NAME: 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]hexahydropyrimidine
CAS Name: 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane
IUPAC NAME: 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane
SYSTEMATIC NAME: 1,3-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane
MOLECULAR FORMULA: C24H34N2O6
MOLECULAR WEIGHT: 446.53656
SMILES: COC1=CC(=CC(=C1OC)OC)CN2CCCN(C2)CC3=CC(=C(C(=C3)OC)OC)OC
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Product OPENEYE NAME: 1,3-dimethyl-4-(p-tolylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CAS Name: 1,3-dimethyl-4-[(4-methylphenyl)thio]-5-pyrazolo[3,4-b]pyridinecarboxylic acid
IUPAC NAME: 1,3-dimethyl-4-(4-methylphenyl)sulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SYSTEMATIC NAME: 1,3-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid
MOLECULAR FORMULA: C16H15N3O2S
MOLECULAR WEIGHT: 313.3742
SMILES: CC1=CC=C(C=C1)SC2=C3C(=NN(C3=NC=C2C(=O)O)C)C
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Product OPENEYE NAME: 3-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CAS Name: 3-[2-(2-methyl-4-nitro-1-imidazolyl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
IUPAC NAME: 3-[2-(2-methyl-4-nitroimidazol-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]-5-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C15H12F3N5O4
MOLECULAR WEIGHT: 383.28209
SMILES: CC1=NC(=CN1CCC2=NOC(=N2)C3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[2-methyl-5-(1-piperidylsulfonyl)-3-furyl]urea
CAS Name: 1-(4-chlorophenyl)-3-[2-methyl-5-(1-piperidinylsulfonyl)-3-furanyl]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonyl-furan-3-yl)urea
MOLECULAR FORMULA: C17H20ClN3O4S
MOLECULAR WEIGHT: 397.8764
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)NC(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-[2-methyl-5-(1-piperidylsulfonyl)-3-furyl]urea
CAS Name: 1-(4-fluorophenyl)-3-[2-methyl-5-(1-piperidinylsulfonyl)-3-furanyl]urea
IUPAC NAME: 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonyl-furan-3-yl)urea
MOLECULAR FORMULA: C17H20FN3O4S
MOLECULAR WEIGHT: 381.421803
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)NC(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[2-methyl-5-(1-piperidylsulfonyl)-3-furyl]-3-phenyl-urea
CAS Name: 1-[2-methyl-5-(1-piperidinylsulfonyl)-3-furanyl]-3-phenylurea
IUPAC NAME: 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea
SYSTEMATIC NAME: 1-(2-methyl-5-piperidin-1-ylsulfonyl-furan-3-yl)-3-phenyl-urea
MOLECULAR FORMULA: C17H21N3O4S
MOLECULAR WEIGHT: 363.43134
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)NC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-3-(4-fluorophenoxy)-2-propanol
IUPAC NAME: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
SYSTEMATIC NAME: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-(4-fluoranylphenoxy)propan-2-ol
MOLECULAR FORMULA: C20H23ClF2N2O2
MOLECULAR WEIGHT: 396.858626
SMILES: C1CN(CCN1CC2=C(C=CC=C2Cl)F)CC(COC3=CC=C(C=C3)F)O
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Product OPENEYE NAME: 1-[4-bromo-3-(trifluoromethyl)anilino]-3-(3,4-dimethylphenoxy)propan-2-ol
CAS Name: 1-[4-bromo-3-(trifluoromethyl)anilino]-3-(3,4-dimethylphenoxy)-2-propanol
IUPAC NAME: 1-[4-bromo-3-(trifluoromethyl)anilino]-3-(3,4-dimethylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-3-(3,4-dimethylphenoxy)propan-2-ol
MOLECULAR FORMULA: C18H19BrF3NO2
MOLECULAR WEIGHT: 418.24817
SMILES: CC1=C(C=C(C=C1)OCC(CNC2=CC(=C(C=C2)Br)C(F)(F)F)O)C
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Product OPENEYE NAME: 2-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C11H9BrF3NO3S
MOLECULAR WEIGHT: 372.15827
SMILES: C1=CC(=C(C=C1NC(=O)CSCC(=O)O)C(F)(F)F)Br
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Product OPENEYE NAME: 5-[4-bromo-3-(trifluoromethyl)anilino]-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-[4-bromo-3-(trifluoromethyl)anilino]-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-[4-bromo-3-(trifluoromethyl)anilino]-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C14H15BrF3NO3
MOLECULAR WEIGHT: 382.17301
SMILES: CC(C)(CC(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F)CC(=O)O
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Product OPENEYE NAME: 2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CAS Name: 2-[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]benzoic acid
IUPAC NAME: 2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
MOLECULAR FORMULA: C15H9BrF3NO3
MOLECULAR WEIGHT: 388.13607
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)C(=O)O
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Product OPENEYE NAME: 3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CAS Name: 3-[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid
IUPAC NAME: 3-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C13H7BrF3N3O3
MOLECULAR WEIGHT: 390.11219
SMILES: C1=CC(=C(C=C1NC(=O)C2=NC=CN=C2C(=O)O)C(F)(F)F)Br
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Product OPENEYE NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CAS Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
IUPAC NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
SYSTEMATIC NAME: 1-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
MOLECULAR FORMULA: C15H12BrF3N2O2
MOLECULAR WEIGHT: 389.16719
SMILES: COC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F
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Product OPENEYE NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(5-chloro-2-methoxy-phenyl)urea
CAS Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(5-chloro-2-methoxyphenyl)urea
IUPAC NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(5-chloro-2-methoxyphenyl)urea
SYSTEMATIC NAME: 1-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-(5-chloranyl-2-methoxy-phenyl)urea
MOLECULAR FORMULA: C15H11BrClF3N2O2
MOLECULAR WEIGHT: 423.61225
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F
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Product OPENEYE NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenyl-urea
CAS Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylurea
IUPAC NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylurea
SYSTEMATIC NAME: 1-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-phenyl-urea
MOLECULAR FORMULA: C14H10BrF3N2O
MOLECULAR WEIGHT: 359.14121
SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F
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Product OPENEYE NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CAS Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C15H9BrF6N2O
MOLECULAR WEIGHT: 427.139179
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F
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Product OPENEYE NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CAS Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
IUPAC NAME: 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
SYSTEMATIC NAME: 1-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
MOLECULAR FORMULA: C14H9BrF4N2O
MOLECULAR WEIGHT: 377.131673
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)F
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