Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-[5-(4-phenylpiperazin-1-yl)sulfonyl-2-thienyl]-5-(trifluoromethyl)isoxazole
CAS Name: 3-[5-[(4-phenyl-1-piperazinyl)sulfonyl]-2-thiophenyl]-5-(trifluoromethyl)isoxazole
IUPAC NAME: 3-[5-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
SYSTEMATIC NAME: 3-[5-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
MOLECULAR FORMULA: C18H16F3N3O3S2
MOLECULAR WEIGHT: 443.46315
SMILES: C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(S3)C4=NOC(=C4)C(F)(F)F
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Product OPENEYE NAME: 3-[5-[(4-benzhydryl-1-piperidyl)sulfonyl]-2-thienyl]-5-(trifluoromethyl)isoxazole
CAS Name: 3-[5-[[4-(diphenylmethyl)-1-piperidinyl]sulfonyl]-2-thiophenyl]-5-(trifluoromethyl)isoxazole
IUPAC NAME: 3-[5-(4-benzhydrylpiperidin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
SYSTEMATIC NAME: 3-[5-[4-(diphenylmethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
MOLECULAR FORMULA: C26H23F3N2O3S2
MOLECULAR WEIGHT: 532.59763
SMILES: C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)C5=NOC(=C5)C(F)(F)F
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Product OPENEYE NAME: 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid hydrochloride
CAS Name: 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid hydrochloride
IUPAC NAME: 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid hydrochloride
SYSTEMATIC NAME: 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid hydrochloride
MOLECULAR FORMULA: C15H20ClNO2
MOLECULAR WEIGHT: 281.7778
SMILES: C1CN(CC=C1C2=CC=CC=C2)CCCC(=O)O.Cl
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Product OPENEYE NAME: 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CAS Name: 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
IUPAC NAME: 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SYSTEMATIC NAME: 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
MOLECULAR FORMULA: C15H19NO2
MOLECULAR WEIGHT: 245.31686
SMILES: C1CN(CC=C1C2=CC=CC=C2)CCCC(=O)O
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Product OPENEYE NAME: 3-(2-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
CAS Name: 3-(2-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
IUPAC NAME: 3-(2-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C22H21FN4O2
MOLECULAR WEIGHT: 392.426143
SMILES: CC(C)(C)C1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4F)NC=N3
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Product OPENEYE NAME: 1-(3,5-dichlorophenyl)-3-(3-methylisoxazol-5-yl)urea
CAS Name: 1-(3,5-dichlorophenyl)-3-(3-methyl-5-isoxazolyl)urea
IUPAC NAME: 1-(3,5-dichlorophenyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
MOLECULAR FORMULA: C11H9Cl2N3O2
MOLECULAR WEIGHT: 286.11406
SMILES: CC1=NOC(=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl
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Product OPENEYE NAME: 1-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-(5-cyclopropyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C20H17F3N4O2
MOLECULAR WEIGHT: 402.36979
SMILES: C1CC1C2=NN(C(=C2)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CAS Name: 1-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC NAME: 1-(5-cyclopropyl-2-phenylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C20H17F3N4O
MOLECULAR WEIGHT: 386.37039
SMILES: C1CC1C2=NN(C(=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(3,4-dichlorophenyl)-3-[5-(2-thienyl)-1H-pyrazol-3-yl]thiourea
CAS Name: 1-(3,4-dichlorophenyl)-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)thiourea
IUPAC NAME: 1-(3,4-dichlorophenyl)-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)thiourea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)thiourea
MOLECULAR FORMULA: C14H10Cl2N4S2
MOLECULAR WEIGHT: 369.292
SMILES: C1=CSC(=C1)C2=CC(=NN2)NC(=S)NC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(2,4-dichlorophenyl)methyleneamino]acetamide
CAS Name: N-[(2,4-dichlorophenyl)methylideneamino]-2-[[1-(diphenylmethyl)-3-azetidinyl]thio]acetamide
IUPAC NAME: 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
SYSTEMATIC NAME: N-[(2,4-dichlorophenyl)methylideneamino]-2-[1-(diphenylmethyl)azetidin-3-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C25H23Cl2N3OS
MOLECULAR WEIGHT: 484.44062
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)SCC(=O)NN=CC4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 1-[(2-nitrophenyl)methyl]-3-(o-tolyl)urea
CAS Name: 1-(2-methylphenyl)-3-[(2-nitrophenyl)methyl]urea
IUPAC NAME: 1-(2-methylphenyl)-3-[(2-nitrophenyl)methyl]urea
SYSTEMATIC NAME: 1-(2-methylphenyl)-3-[(2-nitrophenyl)methyl]urea
MOLECULAR FORMULA: C15H15N3O3
MOLECULAR WEIGHT: 285.2979
SMILES: CC1=CC=CC=C1NC(=O)NCC2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: 1-(4-ethoxyphenyl)-3-[5-(2-thienyl)-1H-pyrazol-3-yl]thiourea
CAS Name: 1-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)thiourea
IUPAC NAME: 1-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)thiourea
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)thiourea
MOLECULAR FORMULA: C16H16N4OS2
MOLECULAR WEIGHT: 344.45444
SMILES: CCOC1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C3=CC=CS3
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Product OPENEYE NAME: 1-[5-(2-thienyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]thiourea
CAS Name: 1-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
IUPAC NAME: 1-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-(5-thiophen-2-yl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C15H11F3N4S2
MOLECULAR WEIGHT: 368.39985
SMILES: C1=CC(=CC(=C1)NC(=S)NC2=NNC(=C2)C3=CC=CS3)C(F)(F)F
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Product OPENEYE NAME: 1-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CAS Name: 1-[2-[2-(4-chlorophenyl)sulfonylethylthio]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea
IUPAC NAME: 1-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C22H18ClF3N2O2S3
MOLECULAR WEIGHT: 531.03373
SMILES: C1=CC=C(C(=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)SCCS(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-(4-benzhydrylpiperazin-1-yl)pyrazine-2-carbonitrile
CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-2-pyrazinecarbonitrile
IUPAC NAME: 3-(4-benzhydrylpiperazin-1-yl)pyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-[4-(diphenylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
MOLECULAR FORMULA: C22H21N5
MOLECULAR WEIGHT: 355.43564
SMILES: C1CN(CCN1C2=NC=CN=C2C#N)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 3-(4-benzhydryl-1-piperidyl)pyrazine-2-carbonitrile
CAS Name: 3-[4-(diphenylmethyl)-1-piperidinyl]-2-pyrazinecarbonitrile
IUPAC NAME: 3-(4-benzhydrylpiperidin-1-yl)pyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-[4-(diphenylmethyl)piperidin-1-yl]pyrazine-2-carbonitrile
MOLECULAR FORMULA: C23H22N4
MOLECULAR WEIGHT: 354.44758
SMILES: C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CN=C4C#N
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Product OPENEYE NAME: 3-(4-benzylpiperazin-1-yl)pyrazine-2-carbonitrile
CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]-2-pyrazinecarbonitrile
IUPAC NAME: 3-(4-benzylpiperazin-1-yl)pyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-[4-(phenylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
MOLECULAR FORMULA: C16H17N5
MOLECULAR WEIGHT: 279.33968
SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=NC=CN=C3C#N
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Product OPENEYE NAME: 1-benzyl-2,4-dioxo-pyrimidine-5-carbonitrile
CAS Name: 2,4-dioxo-1-(phenylmethyl)-5-pyrimidinecarbonitrile
IUPAC NAME: 1-benzyl-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H9N3O2
MOLECULAR WEIGHT: 227.21876
SMILES: C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)C#N
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Product OPENEYE NAME: 1-(2-chlorophenyl)-3-[5-(2-thienyl)-1H-pyrazol-3-yl]thiourea
CAS Name: 1-(2-chlorophenyl)-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)thiourea
IUPAC NAME: 1-(2-chlorophenyl)-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)thiourea
SYSTEMATIC NAME: 1-(2-chlorophenyl)-3-(5-thiophen-2-yl-1H-pyrazol-3-yl)thiourea
MOLECULAR FORMULA: C14H11ClN4S2
MOLECULAR WEIGHT: 334.84694
SMILES: C1=CC=C(C(=C1)NC(=S)NC2=NNC(=C2)C3=CC=CS3)Cl
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Product OPENEYE NAME: 1-(1-benzyl-4-piperidyl)-2,4-dioxo-pyrimidine-5-carbonitrile
CAS Name: 2,4-dioxo-1-[1-(phenylmethyl)-4-piperidinyl]-5-pyrimidinecarbonitrile
IUPAC NAME: 1-(1-benzylpiperidin-4-yl)-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2,4-bis(oxidanylidene)-1-[1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C17H18N4O2
MOLECULAR WEIGHT: 310.35042
SMILES: C1CN(CCC1N2C=C(C(=O)NC2=O)C#N)CC3=CC=CC=C3
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Product OPENEYE NAME: 3-(4-phenylpiperazin-1-yl)pyrazine-2-carbonitrile
CAS Name: 3-(4-phenyl-1-piperazinyl)-2-pyrazinecarbonitrile
IUPAC NAME: 3-(4-phenylpiperazin-1-yl)pyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-(4-phenylpiperazin-1-yl)pyrazine-2-carbonitrile
MOLECULAR FORMULA: C15H15N5
MOLECULAR WEIGHT: 265.3131
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=NC=CN=C3C#N
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Product OPENEYE NAME: 1-[(3-chlorophenyl)methyl]-2,4-dioxo-pyrimidine-5-carbonitrile
CAS Name: 1-[(3-chlorophenyl)methyl]-2,4-dioxo-5-pyrimidinecarbonitrile
IUPAC NAME: 1-[(3-chlorophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-[(3-chlorophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H8ClN3O2
MOLECULAR WEIGHT: 261.66382
SMILES: C1=CC(=CC(=C1)Cl)CN2C=C(C(=O)NC2=O)C#N
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Product OPENEYE NAME: 1-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-pyrimidine-5-carbonitrile
CAS Name: 1-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-5-pyrimidinecarbonitrile
IUPAC NAME: 1-[2-(2-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-[2-(2-methoxyphenyl)ethyl]-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C14H13N3O3
MOLECULAR WEIGHT: 271.27132
SMILES: COC1=CC=CC=C1CCN2C=C(C(=O)NC2=O)C#N
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