Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-methoxy-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]benzenesulfonamide
CAS Name: 4-methoxy-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]benzenesulfonamide
IUPAC NAME: 4-methoxy-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-methoxy-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide
MOLECULAR FORMULA: C19H17F3N2O3S2
MOLECULAR WEIGHT: 442.47509
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F
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Product OPENEYE NAME: N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]methanesulfonamide
CAS Name: N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]methanesulfonamide
IUPAC NAME: N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]methanesulfonamide
SYSTEMATIC NAME: N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]methanesulfonamide
MOLECULAR FORMULA: C13H13F3N2O2S2
MOLECULAR WEIGHT: 350.37973
SMILES: CS(=O)(=O)NCCSC1=CC(=NC2=CC=CC=C21)C(F)(F)F
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Product OPENEYE NAME: 4-methyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]benzenesulfonamide
CAS Name: 4-methyl-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]benzenesulfonamide
IUPAC NAME: 4-methyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide
MOLECULAR FORMULA: C19H17F3N2O2S2
MOLECULAR WEIGHT: 426.47569
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F
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Product OPENEYE NAME: 2,4-dioxo-1-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]pyrimidine-5-carbonitrile
CAS Name: 2,4-dioxo-1-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]-5-pyrimidinecarbonitrile
IUPAC NAME: 2,4-dioxo-1-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2,4-bis(oxidanylidene)-1-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C17H11F3N4O2S
MOLECULAR WEIGHT: 392.35505
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCCN3C=C(C(=O)NC3=O)C#N
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Product OPENEYE NAME: 3-[5-(2-pyridyl)-2-thienyl]prop-2-ynyl 2-chlorobenzoate
CAS Name: 2-chlorobenzoic acid 3-[5-(2-pyridinyl)-2-thiophenyl]prop-2-ynyl ester
IUPAC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl 2-chlorobenzoate
SYSTEMATIC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl 2-chloranylbenzoate
MOLECULAR FORMULA: C19H12ClNO2S
MOLECULAR WEIGHT: 353.82208
SMILES: C1=CC=C(C(=C1)C(=O)OCC#CC2=CC=C(S2)C3=CC=CC=N3)Cl
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Product OPENEYE NAME: 3-[5-(2-pyridyl)-2-thienyl]prop-2-ynyl benzoate
CAS Name: benzoic acid 3-[5-(2-pyridinyl)-2-thiophenyl]prop-2-ynyl ester
IUPAC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl benzoate
SYSTEMATIC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl benzoate
MOLECULAR FORMULA: C19H13NO2S
MOLECULAR WEIGHT: 319.37702
SMILES: C1=CC=C(C=C1)C(=O)OCC#CC2=CC=C(S2)C3=CC=CC=N3
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Product OPENEYE NAME: 3-[5-(2-pyridyl)-2-thienyl]prop-2-ynyl N-phenylcarbamate
CAS Name: N-phenylcarbamic acid 3-[5-(2-pyridinyl)-2-thiophenyl]prop-2-ynyl ester
IUPAC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl N-phenylcarbamate
SYSTEMATIC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl N-phenylcarbamate
MOLECULAR FORMULA: C19H14N2O2S
MOLECULAR WEIGHT: 334.39166
SMILES: C1=CC=C(C=C1)NC(=O)OCC#CC2=CC=C(S2)C3=CC=CC=N3
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Product OPENEYE NAME: 3-[5-(2-pyridyl)-2-thienyl]prop-2-ynyl N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid 3-[5-(2-pyridinyl)-2-thiophenyl]prop-2-ynyl ester
IUPAC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C19H13ClN2O2S
MOLECULAR WEIGHT: 368.83672
SMILES: C1=CC=NC(=C1)C2=CC=C(S2)C#CCOC(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-[5-(2-pyridyl)-2-thienyl]prop-2-ynyl N-(3-chlorophenyl)carbamate
CAS Name: N-(3-chlorophenyl)carbamic acid 3-[5-(2-pyridinyl)-2-thiophenyl]prop-2-ynyl ester
IUPAC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: 3-(5-pyridin-2-ylthiophen-2-yl)prop-2-ynyl N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C19H13ClN2O2S
MOLECULAR WEIGHT: 368.83672
SMILES: C1=CC=NC(=C1)C2=CC=C(S2)C#CCOC(=O)NC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 3-benzyl-1-isopropyl-5-(4-methylthiazol-2-yl)pyrimidine-2,4-dione
CAS Name: 5-(4-methyl-2-thiazolyl)-3-(phenylmethyl)-1-propan-2-ylpyrimidine-2,4-dione
IUPAC NAME: 3-benzyl-5-(4-methyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(4-methyl-1,3-thiazol-2-yl)-3-(phenylmethyl)-1-propan-2-yl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H19N3O2S
MOLECULAR WEIGHT: 341.42736
SMILES: CC1=CSC(=N1)C2=CN(C(=O)N(C2=O)CC3=CC=CC=C3)C(C)C
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Product OPENEYE NAME: 3-benzyl-5-(4-tert-butylthiazol-2-yl)-1-isopropyl-pyrimidine-2,4-dione
CAS Name: 5-(4-tert-butyl-2-thiazolyl)-3-(phenylmethyl)-1-propan-2-ylpyrimidine-2,4-dione
IUPAC NAME: 3-benzyl-5-(4-tert-butyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(4-tert-butyl-1,3-thiazol-2-yl)-3-(phenylmethyl)-1-propan-2-yl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C21H25N3O2S
MOLECULAR WEIGHT: 383.5071
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NC(=CS3)C(C)(C)C
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Product OPENEYE NAME: ethyl 2-(3-benzyl-1-isopropyl-2,4-dioxo-pyrimidin-5-yl)thiazole-4-carboxylate
CAS Name: 2-[2,4-dioxo-3-(phenylmethyl)-1-propan-2-yl-5-pyrimidinyl]-4-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidin-5-yl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C20H21N3O4S
MOLECULAR WEIGHT: 399.46344
SMILES: CCOC(=O)C1=CSC(=N1)C2=CN(C(=O)N(C2=O)CC3=CC=CC=C3)C(C)C
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Product OPENEYE NAME: methyl 4-methoxy-5-morpholinosulfonyl-thiophene-3-carboxylate
CAS Name: 4-methoxy-5-(4-morpholinylsulfonyl)-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-methoxy-5-morpholin-4-ylsulfonylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-methoxy-5-morpholin-4-ylsulfonyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C11H15NO6S2
MOLECULAR WEIGHT: 321.3699
SMILES: COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCOCC2
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Product OPENEYE NAME: methyl 4-methoxy-5-(1-piperidylsulfonyl)thiophene-3-carboxylate
CAS Name: 4-methoxy-5-(1-piperidinylsulfonyl)-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-methoxy-5-piperidin-1-ylsulfonylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-methoxy-5-piperidin-1-ylsulfonyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C12H17NO5S2
MOLECULAR WEIGHT: 319.39708
SMILES: COC1=C(SC=C1C(=O)OC)S(=O)(=O)N2CCCCC2
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Product OPENEYE NAME: [[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylene]amino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [[amino-[3-[3-(trifluoromethyl)phenoxy]-2-pyrazinyl]methylidene]amino] ester
IUPAC NAME: [[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-phenylcarbamate
SYSTEMATIC NAME: [[azanyl-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-phenylcarbamate
MOLECULAR FORMULA: C19H14F3N5O3
MOLECULAR WEIGHT: 417.34137
SMILES: C1=CC=C(C=C1)NC(=O)ON=C(C2=NC=CN=C2OC3=CC=CC(=C3)C(F)(F)F)N
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Product OPENEYE NAME: [[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylene]amino] N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid [[amino-[3-[3-(trifluoromethyl)phenoxy]-2-pyrazinyl]methylidene]amino] ester
IUPAC NAME: [[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [[azanyl-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C19H13ClF3N5O3
MOLECULAR WEIGHT: 451.78643
SMILES: C1=CC(=CC(=C1)OC2=NC=CN=C2C(=NOC(=O)NC3=CC=C(C=C3)Cl)N)C(F)(F)F
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Product OPENEYE NAME: [[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
CAS Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid [[amino-[3-[3-(trifluoromethyl)phenoxy]-2-pyrazinyl]methylidene]amino] ester
IUPAC NAME: [[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
SYSTEMATIC NAME: [[azanyl-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-[4-(trifluoromethyloxy)phenyl]carbamate
MOLECULAR FORMULA: C20H13F6N5O4
MOLECULAR WEIGHT: 501.338739
SMILES: C1=CC(=CC(=C1)OC2=NC=CN=C2C(=NOC(=O)NC3=CC=C(C=C3)OC(F)(F)F)N)C(F)(F)F
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Product OPENEYE NAME: [[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylene]amino] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [[amino-[3-[3-(trifluoromethyl)phenoxy]-2-pyrazinyl]methylidene]amino] ester
IUPAC NAME: [[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] 4-chlorobenzoate
SYSTEMATIC NAME: [[azanyl-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] 4-chloranylbenzoate
MOLECULAR FORMULA: C19H12ClF3N4O3
MOLECULAR WEIGHT: 436.77179
SMILES: C1=CC(=CC(=C1)OC2=NC=CN=C2C(=NOC(=O)C3=CC=C(C=C3)Cl)N)C(F)(F)F
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Product OPENEYE NAME: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CAS Name: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
IUPAC NAME: 4-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
MOLECULAR FORMULA: C21H15ClN2OS
MOLECULAR WEIGHT: 378.8746
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-(3-benzyl-1-isopropyl-2,4-dioxo-pyrimidin-5-yl)thiazole-4-carbohydrazide
CAS Name: 2-[2,4-dioxo-3-(phenylmethyl)-1-propan-2-yl-5-pyrimidinyl]-4-thiazolecarbohydrazide
IUPAC NAME: 2-(3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-1,3-thiazole-4-carbohydrazide
SYSTEMATIC NAME: 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidin-5-yl]-1,3-thiazole-4-carbohydrazide
MOLECULAR FORMULA: C18H19N5O3S
MOLECULAR WEIGHT: 385.44016
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NC(=CS3)C(=O)NN
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Product OPENEYE NAME: ethyl 2-(5-cyano-3-isopropyl-2,6-dioxo-pyrimidin-1-yl)acetate
CAS Name: 2-(5-cyano-2,6-dioxo-3-propan-2-yl-1-pyrimidinyl)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(5-cyano-2,6-dioxo-3-propan-2-ylpyrimidin-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-[5-cyano-2,6-bis(oxidanylidene)-3-propan-2-yl-pyrimidin-1-yl]ethanoate
MOLECULAR FORMULA: C12H15N3O4
MOLECULAR WEIGHT: 265.2652
SMILES: CCOC(=O)CN1C(=O)C(=CN(C1=O)C(C)C)C#N
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