Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[(2,4-dichlorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carbonitrile
CAS Name: 4-[(2,4-dichlorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carbonitrile
IUPAC NAME: 4-[(2,4-dichlorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carbonitrile
SYSTEMATIC NAME: 4-[(2,4-dichlorophenyl)methyl]-3,5-bis(oxidanylidene)-2-phenyl-1,2,4-triazine-6-carbonitrile
MOLECULAR FORMULA: C17H10Cl2N4O2
MOLECULAR WEIGHT: 373.1929
SMILES: C1=CC=C(C=C1)N2C(=O)N(C(=O)C(=N2)C#N)CC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: ethyl 5-chloro-8-methyl-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate
CAS Name: 5-chloro-8-methyl-2-(methylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 5-chloro-8-methyl-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 5-chloranyl-8-methyl-2-methylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C14H14ClNO3S
MOLECULAR WEIGHT: 311.78386
SMILES: CCOC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)C)SC
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Product OPENEYE NAME: ethyl 6-chloro-2-methylsulfanyl-4-(p-tolylsulfanyl)quinoline-3-carboxylate
CAS Name: 6-chloro-4-[(4-methylphenyl)thio]-2-(methylthio)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-chloro-4-(4-methylphenyl)sulfanyl-2-methylsulfanylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 6-chloranyl-4-(4-methylphenyl)sulfanyl-2-methylsulfanyl-quinoline-3-carboxylate
MOLECULAR FORMULA: C20H18ClNO2S2
MOLECULAR WEIGHT: 403.94542
SMILES: CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1SC)SC3=CC=C(C=C3)C
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Product OPENEYE NAME: 3,5-dioxo-4-propyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
CAS Name: 3,5-dioxo-4-propyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
IUPAC NAME: 3,5-dioxo-4-propyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
SYSTEMATIC NAME: 3,5-bis(oxidanylidene)-4-propyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
MOLECULAR FORMULA: C14H11F3N4O2
MOLECULAR WEIGHT: 324.25795
SMILES: CCCN1C(=O)C(=NN(C1=O)C2=CC=CC(=C2)C(F)(F)F)C#N
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Product OPENEYE NAME: ethyl 2-[[(E)-2-cyano-3-(ethoxycarbonylamino)-3-oxo-prop-1-enyl]amino]-4,5-dimethyl-thiophene-3-carboxylate
CAS Name: 2-[[(E)-2-cyano-3-(ethoxycarbonylamino)-3-oxoprop-1-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[(E)-2-cyano-3-(ethoxycarbonylamino)-3-oxoprop-1-enyl]amino]-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[(E)-2-cyano-3-(ethoxycarbonylamino)-3-oxidanylidene-prop-1-enyl]amino]-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C16H19N3O5S
MOLECULAR WEIGHT: 365.40416
SMILES: CCOC(=O)C1=C(SC(=C1C)C)N/C=C(\C#N)/C(=O)NC(=O)OCC
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Product OPENEYE NAME: ethyl 2-[[3-(ethoxycarbonylamino)-2-(ethoxycarbonylcarbamoyl)-3-oxo-prop-1-enyl]amino]-4,5-dimethyl-thiophene-3-carboxylate
CAS Name: 2-[[3-(ethoxycarbonylamino)-2-[(ethoxycarbonylamino)-oxomethyl]-3-oxoprop-1-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[3-(ethoxycarbonylamino)-2-(ethoxycarbonylcarbamoyl)-3-oxoprop-1-enyl]amino]-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[3-(ethoxycarbonylamino)-2-(ethoxycarbonylcarbamoyl)-3-oxidanylidene-prop-1-enyl]amino]-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C19H25N3O8S
MOLECULAR WEIGHT: 455.4821
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC=C(C(=O)NC(=O)OCC)C(=O)NC(=O)OCC
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Product OPENEYE NAME: ethyl N-(1-anilino-2,4-dioxo-pyrimidine-5-carbonyl)carbamate
CAS Name: N-[(1-anilino-2,4-dioxo-5-pyrimidinyl)-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-(1-anilino-2,4-dioxopyrimidine-5-carbonyl)carbamate
SYSTEMATIC NAME: ethyl N-[2,4-bis(oxidanylidene)-1-phenylazanyl-pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C14H14N4O5
MOLECULAR WEIGHT: 318.28476
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 3,5-dioxo-2-phenyl-4-propyl-1,2,4-triazine-6-carbonitrile
CAS Name: 3,5-dioxo-2-phenyl-4-propyl-1,2,4-triazine-6-carbonitrile
IUPAC NAME: 3,5-dioxo-2-phenyl-4-propyl-1,2,4-triazine-6-carbonitrile
SYSTEMATIC NAME: 3,5-bis(oxidanylidene)-2-phenyl-4-propyl-1,2,4-triazine-6-carbonitrile
MOLECULAR FORMULA: C13H12N4O2
MOLECULAR WEIGHT: 256.25998
SMILES: CCCN1C(=O)C(=NN(C1=O)C2=CC=CC=C2)C#N
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Product OPENEYE NAME: ethyl N-[2,4-dioxo-1-[2-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[2,4-dioxo-1-[2-(trifluoromethyl)anilino]-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2,4-dioxo-1-[2-(trifluoromethyl)anilino]pyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[2,4-bis(oxidanylidene)-1-[[2-(trifluoromethyl)phenyl]amino]pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C15H13F3N4O5
MOLECULAR WEIGHT: 386.28273
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)NC2=CC=CC=C2C(F)(F)F
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carbonitrile
CAS Name: 2-(4-methoxyphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carbonitrile
IUPAC NAME: 2-(4-methoxyphenyl)-3,5-dioxo-4-propyl-1,2,4-triazine-6-carbonitrile
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-3,5-bis(oxidanylidene)-4-propyl-1,2,4-triazine-6-carbonitrile
MOLECULAR FORMULA: C14H14N4O3
MOLECULAR WEIGHT: 286.28596
SMILES: CCCN1C(=O)C(=NN(C1=O)C2=CC=C(C=C2)OC)C#N
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Product OPENEYE NAME: ethyl N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2,4-dioxo-pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dioxo-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2,4-dioxopyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C14H11ClF3N5O5
MOLECULAR WEIGHT: 421.71585
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl
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Product OPENEYE NAME: ethyl 8-chloro-4-(2,6-dichlorophenyl)sulfanyl-2-methylsulfanyl-quinoline-3-carboxylate
CAS Name: 8-chloro-4-[(2,6-dichlorophenyl)thio]-2-(methylthio)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 8-chloro-4-(2,6-dichlorophenyl)sulfanyl-2-methylsulfanylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[2,6-bis(chloranyl)phenyl]sulfanyl-8-chloranyl-2-methylsulfanyl-quinoline-3-carboxylate
MOLECULAR FORMULA: C19H14Cl3NO2S2
MOLECULAR WEIGHT: 458.80896
SMILES: CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)N=C1SC)SC3=C(C=CC=C3Cl)Cl
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Product OPENEYE NAME: ethyl 8-chloro-2-methylsulfanyl-4-(2-thienylsulfanyl)quinoline-3-carboxylate
CAS Name: 8-chloro-2-(methylthio)-4-(thiophen-2-ylthio)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 8-chloro-2-methylsulfanyl-4-thiophen-2-ylsulfanylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 8-chloranyl-2-methylsulfanyl-4-thiophen-2-ylsulfanyl-quinoline-3-carboxylate
MOLECULAR FORMULA: C17H14ClNO2S3
MOLECULAR WEIGHT: 395.94656
SMILES: CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)N=C1SC)SC3=CC=CS3
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Product OPENEYE NAME: ethyl N-[1-[[5-chloro-3-(trifluoromethyl)-2-pyridyl]amino]-2,4-dioxo-pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[1-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]amino]-2,4-dioxo-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[1-[[5-chloro-3-(trifluoromethyl)pyridin-2-yl]amino]-2,4-dioxopyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[1-[[5-chloranyl-3-(trifluoromethyl)pyridin-2-yl]amino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C14H11ClF3N5O5
MOLECULAR WEIGHT: 421.71585
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)NC2=NC=C(C=C2C(F)(F)F)Cl
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Product OPENEYE NAME: ethyl N-[2,4-dioxo-1-[[6-(trifluoromethyl)-2-pyridyl]amino]pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[2,4-dioxo-1-[[6-(trifluoromethyl)-2-pyridinyl]amino]-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2,4-dioxo-1-[[6-(trifluoromethyl)pyridin-2-yl]amino]pyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[2,4-bis(oxidanylidene)-1-[[6-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C14H12F3N5O5
MOLECULAR WEIGHT: 387.27079
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)NC2=CC=CC(=N2)C(F)(F)F
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Product OPENEYE NAME: ethyl 8-chloro-2-methylsulfanyl-4-(1-piperidyl)quinoline-3-carboxylate
CAS Name: 8-chloro-2-(methylthio)-4-(1-piperidinyl)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 8-chloro-2-methylsulfanyl-4-piperidin-1-ylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 8-chloranyl-2-methylsulfanyl-4-piperidin-1-yl-quinoline-3-carboxylate
MOLECULAR FORMULA: C18H21ClN2O2S
MOLECULAR WEIGHT: 364.88954
SMILES: CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)N=C1SC)N3CCCCC3
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Product OPENEYE NAME: N-(4-chlorophenyl)-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxamide
CAS Name: N-(4-chlorophenyl)-3-(methylthio)-1-phenyl-4-pyrazolecarboxamide
IUPAC NAME: N-(4-chlorophenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C17H14ClN3OS
MOLECULAR WEIGHT: 343.83056
SMILES: CSC1=NN(C=C1C(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: 6-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-4-propyl-1,2,4-triazine-3,5-dione
CAS Name: 6-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-4-propyl-1,2,4-triazine-3,5-dione
IUPAC NAME: 6-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-4-propyl-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-4-propyl-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C20H16ClN5O3
MOLECULAR WEIGHT: 409.82574
SMILES: CCCN1C(=O)C(=NN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: [[amino-(3,5-dioxo-2-phenyl-4-propyl-1,2,4-triazin-6-yl)methylene]amino] N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid [[amino-(3,5-dioxo-2-phenyl-4-propyl-1,2,4-triazin-6-yl)methylidene]amino] ester
IUPAC NAME: [[amino-(3,5-dioxo-2-phenyl-4-propyl-1,2,4-triazin-6-yl)methylidene]amino] N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [[azanyl-[3,5-bis(oxidanylidene)-2-phenyl-4-propyl-1,2,4-triazin-6-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C20H19ClN6O4
MOLECULAR WEIGHT: 442.85566
SMILES: CCCN1C(=O)C(=NN(C1=O)C2=CC=CC=C2)C(=NOC(=O)NC3=CC=C(C=C3)Cl)N
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Product OPENEYE NAME: [[amino-(3,5-dioxo-2-phenyl-4-propyl-1,2,4-triazin-6-yl)methylene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
CAS Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid [[amino-(3,5-dioxo-2-phenyl-4-propyl-1,2,4-triazin-6-yl)methylidene]amino] ester
IUPAC NAME: [[amino-(3,5-dioxo-2-phenyl-4-propyl-1,2,4-triazin-6-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
SYSTEMATIC NAME: [[azanyl-[3,5-bis(oxidanylidene)-2-phenyl-4-propyl-1,2,4-triazin-6-yl]methylidene]amino] N-[4-(trifluoromethyloxy)phenyl]carbamate
MOLECULAR FORMULA: C21H19F3N6O5
MOLECULAR WEIGHT: 492.40797
SMILES: CCCN1C(=O)C(=NN(C1=O)C2=CC=CC=C2)C(=NOC(=O)NC3=CC=C(C=C3)OC(F)(F)F)N
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Product OPENEYE NAME: 2-phenyl-4-propyl-6-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazine-3,5-dione
CAS Name: 2-phenyl-4-propyl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazine-3,5-dione
IUPAC NAME: 2-phenyl-4-propyl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 2-phenyl-4-propyl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C18H15N5O3S
MOLECULAR WEIGHT: 381.4084
SMILES: CCCN1C(=O)C(=NN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C4=CC=CS4
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Product OPENEYE NAME: ethyl 2-methylsulfanyl-4-morpholino-8-(trifluoromethyl)quinoline-3-carboxylate
CAS Name: 2-(methylthio)-4-(4-morpholinyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-methylsulfanyl-4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methylsulfanyl-4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate
MOLECULAR FORMULA: C18H19F3N2O3S
MOLECULAR WEIGHT: 400.41527
SMILES: CCOC(=O)C1=C(C2=C(C(=CC=C2)C(F)(F)F)N=C1SC)N3CCOCC3
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Product OPENEYE NAME: ethyl 6-chloro-2-methylsulfanyl-4-morpholino-quinoline-3-carboxylate
CAS Name: 6-chloro-2-(methylthio)-4-(4-morpholinyl)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-chloro-2-methylsulfanyl-4-morpholin-4-ylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 6-chloranyl-2-methylsulfanyl-4-morpholin-4-yl-quinoline-3-carboxylate
MOLECULAR FORMULA: C17H19ClN2O3S
MOLECULAR WEIGHT: 366.86236
SMILES: CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1SC)N3CCOCC3
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