Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-[5-(2-phenylethynyl)-2-thienyl]-2-(thiophene-2-carbonyl)prop-2-enenitrile
CAS Name: 2-[oxo(thiophen-2-yl)methyl]-3-[5-(2-phenylethynyl)-2-thiophenyl]-2-propenenitrile
IUPAC NAME: 3-[5-(2-phenylethynyl)thiophen-2-yl]-2-(thiophene-2-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[5-(2-phenylethynyl)thiophen-2-yl]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C20H11NOS2
MOLECULAR WEIGHT: 345.43744
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(S2)C=C(C#N)C(=O)C3=CC=CS3
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Product OPENEYE NAME: 2-(furan-2-carbonyl)-3-[5-(2-phenylethynyl)-2-thienyl]prop-2-enenitrile
CAS Name: 2-[2-furanyl(oxo)methyl]-3-[5-(2-phenylethynyl)-2-thiophenyl]-2-propenenitrile
IUPAC NAME: 2-(furan-2-carbonyl)-3-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile
SYSTEMATIC NAME: 2-(furan-2-ylcarbonyl)-3-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile
MOLECULAR FORMULA: C20H11NO2S
MOLECULAR WEIGHT: 329.37184
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(S2)C=C(C#N)C(=O)C3=CC=CO3
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Product OPENEYE NAME: [5-(2-phenylethynyl)-2-thienyl]methanol
CAS Name: [5-(2-phenylethynyl)-2-thiophenyl]methanol
IUPAC NAME: [5-(2-phenylethynyl)thiophen-2-yl]methanol
SYSTEMATIC NAME: [5-(2-phenylethynyl)thiophen-2-yl]methanol
MOLECULAR FORMULA: C13H10OS
MOLECULAR WEIGHT: 214.2829
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(S2)CO
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Product OPENEYE NAME: (E)-2-(benzenesulfonyl)-3-(4-benzhydrylpiperazin-1-yl)prop-2-enenitrile
CAS Name: (E)-2-(benzenesulfonyl)-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propenenitrile
IUPAC NAME: (E)-2-(benzenesulfonyl)-3-(4-benzhydrylpiperazin-1-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[4-(diphenylmethyl)piperazin-1-yl]-2-(phenylsulfonyl)prop-2-enenitrile
MOLECULAR FORMULA: C26H25N3O2S
MOLECULAR WEIGHT: 443.5606
SMILES: C1CN(CCN1/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (E)-3-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile
CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propenenitrile
IUPAC NAME: (E)-3-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(diphenylmethyl)piperazin-1-yl]prop-2-enenitrile
MOLECULAR FORMULA: C26H24ClN3O2S
MOLECULAR WEIGHT: 478.00566
SMILES: C1CN(CCN1/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-benzhydryl-4-[(5-chloro-2-thienyl)sulfonyl]piperazine
CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-(diphenylmethyl)piperazine
IUPAC NAME: 1-benzhydryl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-(diphenylmethyl)piperazine
MOLECULAR FORMULA: C21H21ClN2O2S2
MOLECULAR WEIGHT: 432.98664
SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl
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Product OPENEYE NAME: (E)-3-(4-benzhydrylpiperazin-1-yl)-2-tert-butylsulfonyl-prop-2-enenitrile
CAS Name: (E)-2-tert-butylsulfonyl-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propenenitrile
IUPAC NAME: (E)-3-(4-benzhydrylpiperazin-1-yl)-2-tert-butylsulfonylprop-2-enenitrile
SYSTEMATIC NAME: (E)-2-tert-butylsulfonyl-3-[4-(diphenylmethyl)piperazin-1-yl]prop-2-enenitrile
MOLECULAR FORMULA: C24H29N3O2S
MOLECULAR WEIGHT: 423.57096
SMILES: CC(C)(C)S(=O)(=O)/C(=C/N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)/C#N
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Product OPENEYE NAME: tert-butyl 4-[2-[(3,5-dichlorophenyl)carbamoylamino]ethyl]piperazine-1-carboxylate
CAS Name: 4-[2-[[(3,5-dichloroanilino)-oxomethyl]amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-[(3,5-dichlorophenyl)carbamoylamino]ethyl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]ethyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C18H26Cl2N4O3
MOLECULAR WEIGHT: 417.33004
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)NC2=CC(=CC(=C2)Cl)Cl
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Product OPENEYE NAME: 5-[4-(4-chlorophenyl)thiazol-2-yl]-3-methyl-1-phenyl-pyrimidine-2,4-dione
CAS Name: 5-[4-(4-chlorophenyl)-2-thiazolyl]-3-methyl-1-phenylpyrimidine-2,4-dione
IUPAC NAME: 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C20H14ClN3O2S
MOLECULAR WEIGHT: 395.86206
SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 5-(4-tert-butylthiazol-2-yl)-3-methyl-1-phenyl-pyrimidine-2,4-dione
CAS Name: 5-(4-tert-butyl-2-thiazolyl)-3-methyl-1-phenylpyrimidine-2,4-dione
IUPAC NAME: 5-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-1-phenyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H19N3O2S
MOLECULAR WEIGHT: 341.42736
SMILES: CC(C)(C)C1=CSC(=N1)C2=CN(C(=O)N(C2=O)C)C3=CC=CC=C3
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Product OPENEYE NAME: 3-methyl-1-phenyl-5-(4-phenylthiazol-2-yl)pyrimidine-2,4-dione
CAS Name: 3-methyl-1-phenyl-5-(4-phenyl-2-thiazolyl)pyrimidine-2,4-dione
IUPAC NAME: 3-methyl-1-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-methyl-1-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C20H15N3O2S
MOLECULAR WEIGHT: 361.417
SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 2-(3-methyl-2,4-dioxo-1-phenyl-pyrimidin-5-yl)thiazole-4-carboxylate
CAS Name: 2-(3-methyl-2,4-dioxo-1-phenyl-5-pyrimidinyl)-4-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(3-methyl-2,4-dioxo-1-phenylpyrimidin-5-yl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-[3-methyl-2,4-bis(oxidanylidene)-1-phenyl-pyrimidin-5-yl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C17H15N3O4S
MOLECULAR WEIGHT: 357.3837
SMILES: CCOC(=O)C1=CSC(=N1)C2=CN(C(=O)N(C2=O)C)C3=CC=CC=C3
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Product OPENEYE NAME: tert-butyl 4-[2-(phenylcarbamoylamino)ethyl]piperazine-1-carboxylate
CAS Name: 4-[2-[[anilino(oxo)methyl]amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-(phenylcarbamoylamino)ethyl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-(phenylcarbamoylamino)ethyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C18H28N4O3
MOLECULAR WEIGHT: 348.43992
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: tert-butyl 4-[2-[(4-chlorophenyl)carbamoylamino]ethyl]piperazine-1-carboxylate
CAS Name: 4-[2-[[(4-chloroanilino)-oxomethyl]amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-[(4-chlorophenyl)carbamoylamino]ethyl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-[(4-chlorophenyl)carbamoylamino]ethyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C18H27ClN4O3
MOLECULAR WEIGHT: 382.88498
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone hydrobromide
CAS Name: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone hydrobromide
IUPAC NAME: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone hydrobromide
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone hydrobromide
MOLECULAR FORMULA: C17H14BrCl2NOS
MOLECULAR WEIGHT: 431.17416
SMILES: C1CN=C(C2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)Cl)Cl.Br
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Product OPENEYE NAME: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone
CAS Name: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone
IUPAC NAME: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone
MOLECULAR FORMULA: C17H13Cl2NOS
MOLECULAR WEIGHT: 350.26222
SMILES: C1CN=C(C2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone hydrobromide
CAS Name: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone hydrobromide
IUPAC NAME: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone hydrobromide
SYSTEMATIC NAME: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone hydrobromide
MOLECULAR FORMULA: C17H15BrClNOS
MOLECULAR WEIGHT: 396.7291
SMILES: C1CN=C(C2=CC=CC=C21)SCC(=O)C3=CC=CC=C3Cl.Br
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Product OPENEYE NAME: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone
CAS Name: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylthio)ethanone
IUPAC NAME: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone
SYSTEMATIC NAME: 1-(2-chlorophenyl)-2-(3,4-dihydroisoquinolin-1-ylsulfanyl)ethanone
MOLECULAR FORMULA: C17H14ClNOS
MOLECULAR WEIGHT: 315.81716
SMILES: C1CN=C(C2=CC=CC=C21)SCC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: tert-butyl 4-[2-[(4-chlorobenzoyl)amino]ethyl]piperazine-1-carboxylate
CAS Name: 4-[2-[[(4-chlorophenyl)-oxomethyl]amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-[(4-chlorobenzoyl)amino]ethyl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-[(4-chlorophenyl)carbonylamino]ethyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C18H26ClN3O3
MOLECULAR WEIGHT: 367.87034
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)Cl
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