Tuesday, November 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-[(3-methyl-2-thienyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-[(3-methyl-2-thiophenyl)methyl]-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H16F3N3O2S2
MOLECULAR WEIGHT: 427.46375
SMILES: CC1=C(SC=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-[(4-aminophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(4-aminophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(4-aminophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[(4-aminophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H17F3N4O2S
MOLECULAR WEIGHT: 422.42409
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=C(C=C3)N)C(F)(F)F
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Product OPENEYE NAME: N-cyclopentyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-cyclopentyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-cyclopentyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-cyclopentyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C17H18F3N3O2S
MOLECULAR WEIGHT: 385.40393
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NC3CCCC3)C(F)(F)F
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Product OPENEYE NAME: N-cyclohexyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-cyclohexyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-cyclohexyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-cyclohexyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H20F3N3O2S
MOLECULAR WEIGHT: 399.43051
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NC3CCCCC3)C(F)(F)F
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Product OPENEYE NAME: N-isobutyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-(2-methylpropyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-(2-methylpropyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-(2-methylpropyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C16H18F3N3O2S
MOLECULAR WEIGHT: 373.39323
SMILES: CC(C)CNC1=NC(=NC(=C1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: N-(cyclopentylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-(cyclopentylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-(cyclopentylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-(cyclopentylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H20F3N3O2S
MOLECULAR WEIGHT: 399.43051
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3CCCC3)C(F)(F)F
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Product OPENEYE NAME: 4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-ol
CAS Name: 4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]-1-butanol
IUPAC NAME: 4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-ol
SYSTEMATIC NAME: 4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-ol
MOLECULAR FORMULA: C12H19N3O2S
MOLECULAR WEIGHT: 269.36316
SMILES: CN1CCC=C(C1)C2=NSN=C2OCCCCO
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Product OPENEYE NAME: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxylate
CAS Name: (2E)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3-benzoxazole-4-carboxylic acid 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl ester
IUPAC NAME: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxylate
SYSTEMATIC NAME: 2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethyl (2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxylate
MOLECULAR FORMULA: C22H25NO8
MOLECULAR WEIGHT: 431.4358
SMILES: C1=C/C(=C\2/NC3=C(C=CC=C3O2)C(=O)OCCOCCOCCOCCO)/C(=O)C=C1
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Product OPENEYE NAME: (6S,7R,7aR)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
CAS Name: (6S,7R,7aR)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
IUPAC NAME: (6S,7R,7aR)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SYSTEMATIC NAME: (6S,7R,7aR)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
MOLECULAR FORMULA: C22H19F6NO3
MOLECULAR WEIGHT: 459.381579
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](CN3[C@@H]2COC3=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(2-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
CAS Name: 2-(2-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
IUPAC NAME: 2-(2-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
SYSTEMATIC NAME: 2-(2-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]imidazolidine
MOLECULAR FORMULA: C23H21Cl3N2
MOLECULAR WEIGHT: 431.78524
SMILES: C1CN(C(N1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3Cl)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-(3,4-dichlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
CAS Name: 2-(3,4-dichlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
IUPAC NAME: 2-(3,4-dichlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
MOLECULAR FORMULA: C25H26Cl2N2O2
MOLECULAR WEIGHT: 457.39214
SMILES: COC1=CC=C(C=C1)CN2CCN(C2C3=CC(=C(C=C3)Cl)Cl)CC4=CC=C(C=C4)OC
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Product OPENEYE NAME: 1-benzyl-3-(p-tolyl)imidazolidine
CAS Name: 1-(4-methylphenyl)-3-(phenylmethyl)imidazolidine
IUPAC NAME: 1-benzyl-3-(4-methylphenyl)imidazolidine
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-(phenylmethyl)imidazolidine
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CC1=CC=C(C=C1)N2CCN(C2)CC3=CC=CC=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H20N4O
MOLECULAR WEIGHT: 344.4097
SMILES: CN1C=C2CCN=C3C2=C1C(=O)C(=C3)NCCC4=CNC5=CC=CC=C54
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Product OPENEYE NAME: [2-amino-5-phenyl-4-[3-(trifluoromethyl)phenyl]-3-thienyl]-phenyl-methanone
CAS Name: [2-amino-5-phenyl-4-[3-(trifluoromethyl)phenyl]-3-thiophenyl]-phenylmethanone
IUPAC NAME: [2-amino-5-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
SYSTEMATIC NAME: [2-azanyl-5-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C24H16F3NOS
MOLECULAR WEIGHT: 423.45015
SMILES: C1=CC=C(C=C1)C2=C(C(=C(S2)N)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 4-[(4-hydroxyphenyl)iminomethyl]benzenesulfonamide
CAS Name: 4-[(4-hydroxyphenyl)iminomethyl]benzenesulfonamide
IUPAC NAME: 4-[(4-hydroxyphenyl)iminomethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[(4-hydroxyphenyl)iminomethyl]benzenesulfonamide
MOLECULAR FORMULA: C13H12N2O3S
MOLECULAR WEIGHT: 276.31098
SMILES: C1=CC(=CC=C1C=NC2=CC=C(C=C2)O)S(=O)(=O)N
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Product OPENEYE NAME: (4R)-3-[(2S,3S)-3-[(3-amino-2-chloro-benzoyl)amino]-2-hydroxy-4-(3-methoxyphenyl)butanoyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4R)-3-[(2S,3S)-3-[[(3-amino-2-chlorophenyl)-oxomethyl]amino]-2-hydroxy-4-(3-methoxyphenyl)-1-oxobutyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-4-thiazolidinecarboxamide
IUPAC NAME: (4R)-3-[(2S,3S)-3-[(3-amino-2-chlorobenzoyl)amino]-2-hydroxy-4-(3-methoxyphenyl)butanoyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: (4R)-3-[(2S,3S)-3-[(3-azanyl-2-chloranyl-phenyl)carbonylamino]-4-(3-methoxyphenyl)-2-oxidanyl-butanoyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C33H39ClN4O5S
MOLECULAR WEIGHT: 639.20456
SMILES: CC1=C(C(=CC=C1)C)CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](CC3=CC(=CC=C3)OC)NC(=O)C4=C(C(=CC=C4)N)Cl)O)(C)C
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Product OPENEYE NAME: N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name: N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC NAME: N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)ethyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C18H19ClN2OS
MOLECULAR WEIGHT: 346.87426
SMILES: C1CN(CC2=C1C=CC(=C2)O)C(=S)NCCC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name: N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC NAME: N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)ethyl]-8-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C18H19ClN2OS
MOLECULAR WEIGHT: 346.87426
SMILES: C1CN(CC2=C1C=CC=C2O)C(=S)NCCC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 6-chloro-5-methyl-2-(4-methylsulfonylphenyl)-N-(p-tolylmethyl)pyrimidin-4-amine
CAS Name: 6-chloro-5-methyl-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-4-pyrimidinamine
IUPAC NAME: 6-chloro-5-methyl-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-5-methyl-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H20ClN3O2S
MOLECULAR WEIGHT: 401.9097
SMILES: CC1=CC=C(C=C1)CNC2=C(C(=NC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)Cl)C
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Product OPENEYE NAME: 10-methyl-2-(methylamino)pyrimido[4,5-b]quinolin-4-one
CAS Name: 10-methyl-2-(methylamino)-4-pyrimido[4,5-b]quinolinone
IUPAC NAME: 10-methyl-2-(methylamino)pyrimido[4,5-b]quinolin-4-one
SYSTEMATIC NAME: 10-methyl-2-(methylamino)pyrimido[4,5-b]quinolin-4-one
MOLECULAR FORMULA: C13H12N4O
MOLECULAR WEIGHT: 240.26058
SMILES: CNC1=NC(=O)C2=CC3=CC=CC=C3N(C2=N1)C
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