Tuesday, November 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl N-[1-(2-furylmethyl)-2,4-dioxo-pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[1-(2-furanylmethyl)-2,4-dioxo-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[1-(furan-2-ylmethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[1-(furan-2-ylmethyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C13H13N3O6
MOLECULAR WEIGHT: 307.25882
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CC2=CC=CO2
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Product OPENEYE NAME: ethyl N-[2,4-dioxo-1-(2-pyridylmethyl)pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[2,4-dioxo-1-(2-pyridinylmethyl)-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2,4-dioxo-1-(pyridin-2-ylmethyl)pyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[2,4-bis(oxidanylidene)-1-(pyridin-2-ylmethyl)pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C14H14N4O5
MOLECULAR WEIGHT: 318.28476
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CC2=CC=CC=N2
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Product OPENEYE NAME: ethyl N-[2,4-dioxo-1-[2-(4-pyridyl)ethyl]pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[2,4-dioxo-1-(2-pyridin-4-ylethyl)-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2,4-dioxo-1-(2-pyridin-4-ylethyl)pyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[2,4-bis(oxidanylidene)-1-(2-pyridin-4-ylethyl)pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C15H16N4O5
MOLECULAR WEIGHT: 332.31134
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCC2=CC=NC=C2
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Product OPENEYE NAME: 4-chloro-N'-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]acetyl]benzohydrazide
CAS Name: 4-chloro-N'-[1-oxo-2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]benzohydrazide
IUPAC NAME: 4-chloro-N'-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetyl]benzohydrazide
SYSTEMATIC NAME: 4-chloranyl-N'-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethanoyl]benzohydrazide
MOLECULAR FORMULA: C19H13ClF3N3O2S
MOLECULAR WEIGHT: 439.83863
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: ethyl N-[(E)-2-cyano-3-[4-(trifluoromethoxy)anilino]prop-2-enoyl]carbamate
CAS Name: N-[(E)-2-cyano-1-oxo-3-[4-(trifluoromethoxy)anilino]prop-2-enyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(E)-2-cyano-3-[4-(trifluoromethoxy)anilino]prop-2-enoyl]carbamate
SYSTEMATIC NAME: ethyl N-[(E)-2-cyano-3-[[4-(trifluoromethyloxy)phenyl]amino]prop-2-enoyl]carbamate
MOLECULAR FORMULA: C14H12F3N3O4
MOLECULAR WEIGHT: 343.25799
SMILES: CCOC(=O)NC(=O)/C(=C/NC1=CC=C(C=C1)OC(F)(F)F)/C#N
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Product OPENEYE NAME: 6-(4-chlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
CAS Name: 6-(4-chlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
IUPAC NAME: 6-(4-chlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
SYSTEMATIC NAME: 6-(4-chlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
MOLECULAR FORMULA: C13H10ClN3O
MOLECULAR WEIGHT: 259.691
SMILES: CC1=C2C(=O)NC(=CN2C=N1)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 6-(2,4-dichlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
CAS Name: 6-(2,4-dichlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
IUPAC NAME: 6-(2,4-dichlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
SYSTEMATIC NAME: 6-(2,4-dichlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
MOLECULAR FORMULA: C13H9Cl2N3O
MOLECULAR WEIGHT: 294.13606
SMILES: CC1=C2C(=O)NC(=CN2C=N1)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: ethyl N-[(E)-2-cyano-3-(2,4-difluoroanilino)prop-2-enoyl]carbamate
CAS Name: N-[(E)-2-cyano-3-(2,4-difluoroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(E)-2-cyano-3-(2,4-difluoroanilino)prop-2-enoyl]carbamate
SYSTEMATIC NAME: ethyl N-[(E)-3-[[2,4-bis(fluoranyl)phenyl]amino]-2-cyano-prop-2-enoyl]carbamate
MOLECULAR FORMULA: C13H11F2N3O3
MOLECULAR WEIGHT: 295.241546
SMILES: CCOC(=O)NC(=O)/C(=C/NC1=C(C=C(C=C1)F)F)/C#N
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Product OPENEYE NAME: 2,4-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CAS Name: 2,4-dioxo-1-[4-(trifluoromethoxy)phenyl]-5-pyrimidinecarbonitrile
IUPAC NAME: 2,4-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2,4-bis(oxidanylidene)-1-[4-(trifluoromethyloxy)phenyl]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H6F3N3O3
MOLECULAR WEIGHT: 297.18955
SMILES: C1=CC(=CC=C1N2C=C(C(=O)NC2=O)C#N)OC(F)(F)F
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Product OPENEYE NAME: 1-(2,4-difluorophenyl)-2,4-dioxo-pyrimidine-5-carbonitrile
CAS Name: 1-(2,4-difluorophenyl)-2,4-dioxo-5-pyrimidinecarbonitrile
IUPAC NAME: 1-(2,4-difluorophenyl)-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-[2,4-bis(fluoranyl)phenyl]-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C11H5F2N3O2
MOLECULAR WEIGHT: 249.173106
SMILES: C1=CC(=C(C=C1F)F)N2C=C(C(=O)NC2=O)C#N
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Product OPENEYE NAME: ethyl N-[(E)-2-cyano-3-(4-methoxyanilino)prop-2-enoyl]carbamate
CAS Name: N-[(E)-2-cyano-3-(4-methoxyanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(E)-2-cyano-3-(4-methoxyanilino)prop-2-enoyl]carbamate
SYSTEMATIC NAME: ethyl N-[(E)-2-cyano-3-[(4-methoxyphenyl)amino]prop-2-enoyl]carbamate
MOLECULAR FORMULA: C14H15N3O4
MOLECULAR WEIGHT: 289.2866
SMILES: CCOC(=O)NC(=O)/C(=C/NC1=CC=C(C=C1)OC)/C#N
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Product OPENEYE NAME: 1-(4-chlorophenyl)-2,4-dioxo-pyrimidine-5-carbonitrile
CAS Name: 1-(4-chlorophenyl)-2,4-dioxo-5-pyrimidinecarbonitrile
IUPAC NAME: 1-(4-chlorophenyl)-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C11H6ClN3O2
MOLECULAR WEIGHT: 247.63724
SMILES: C1=CC(=CC=C1N2C=C(C(=O)NC2=O)C#N)Cl
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Product OPENEYE NAME: ethyl N-[3-benzyl-1-(2-furylmethyl)-2,4-dioxo-pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[1-(2-furanylmethyl)-2,4-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-benzyl-1-(furan-2-ylmethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[1-(furan-2-ylmethyl)-2,4-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C20H19N3O6
MOLECULAR WEIGHT: 397.38136
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)CC2=CC=CC=C2)CC3=CC=CO3
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Product OPENEYE NAME: N-(4-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide
CAS Name: N-(4-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide
IUPAC NAME: N-(4-chlorophenyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C18H17ClF3N3O
MOLECULAR WEIGHT: 383.79529
SMILES: C1CN(CCC1C(=O)NC2=CC=C(C=C2)Cl)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 5-nitro-4,6-bis[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyrimidine
CAS Name: 5-nitro-4,6-bis[[5-(trifluoromethyl)-2-pyridinyl]thio]pyrimidine
IUPAC NAME: 5-nitro-4,6-bis[[5-(trifluoromethyl)pyridin-2-yl]sulfanyl]pyrimidine
SYSTEMATIC NAME: 5-nitro-4,6-bis[[5-(trifluoromethyl)pyridin-2-yl]sulfanyl]pyrimidine
MOLECULAR FORMULA: C16H7F6N5O2S2
MOLECULAR WEIGHT: 479.379499
SMILES: C1=CC(=NC=C1C(F)(F)F)SC2=C(C(=NC=N2)SC3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl N-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1-(2-thienylmethyl)pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1-(thiophen-2-ylmethyl)-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1-(thiophen-2-ylmethyl)pyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[(4-chlorophenyl)methyl]-2,4-bis(oxidanylidene)-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C20H18ClN3O5S
MOLECULAR WEIGHT: 447.89202
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)CC2=CC=C(C=C2)Cl)CC3=CC=CS3
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Product OPENEYE NAME: ethyl N-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1-(2-pyridylmethyl)pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1-(2-pyridinylmethyl)-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1-(pyridin-2-ylmethyl)pyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-[[2,6-bis(chloranyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1-(pyridin-2-ylmethyl)pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C21H18Cl2N4O5
MOLECULAR WEIGHT: 477.29742
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)CC2=C(C=CC=C2Cl)Cl)CC3=CC=CC=N3
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Product OPENEYE NAME: 4,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidine
CAS Name: 4,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-5-nitropyrimidine
IUPAC NAME: 4,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyrimidine
SYSTEMATIC NAME: 4,6-bis[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyrimidine
MOLECULAR FORMULA: C12H7F6N9O2S2
MOLECULAR WEIGHT: 487.363499
SMILES: CN1C(=NN=C1SC2=C(C(=NC=N2)SC3=NN=C(N3C)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: 5-nitro-4,6-bis(2-thienylsulfanyl)pyrimidine
CAS Name: 5-nitro-4,6-bis(thiophen-2-ylthio)pyrimidine
IUPAC NAME: 5-nitro-4,6-bis(thiophen-2-ylsulfanyl)pyrimidine
SYSTEMATIC NAME: 5-nitro-4,6-bis(thiophen-2-ylsulfanyl)pyrimidine
MOLECULAR FORMULA: C12H7N3O2S4
MOLECULAR WEIGHT: 353.46288
SMILES: C1=CSC(=C1)SC2=C(C(=NC=N2)SC3=CC=CS3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-methyl-3-[[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]acetyl]amino]thiourea
CAS Name: 1-methyl-3-[[1-oxo-2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]amino]thiourea
IUPAC NAME: 1-methyl-3-[[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetyl]amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethanoylamino]thiourea
MOLECULAR FORMULA: C14H13F3N4OS2
MOLECULAR WEIGHT: 374.40443
SMILES: CNC(=S)NNC(=O)CSC1=CC(=NC2=CC=CC=C21)C(F)(F)F
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Product OPENEYE NAME: ethyl 2-[5-(ethoxycarbonylcarbamoyl)-2,6-dioxo-3-(2-thienylmethyl)pyrimidin-1-yl]acetate
CAS Name: 2-[5-[(ethoxycarbonylamino)-oxomethyl]-2,6-dioxo-3-(thiophen-2-ylmethyl)-1-pyrimidinyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[5-(ethoxycarbonylcarbamoyl)-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[5-(ethoxycarbonylcarbamoyl)-2,6-bis(oxidanylidene)-3-(thiophen-2-ylmethyl)pyrimidin-1-yl]ethanoate
MOLECULAR FORMULA: C17H19N3O7S
MOLECULAR WEIGHT: 409.41366
SMILES: CCOC(=O)CN1C(=O)C(=CN(C1=O)CC2=CC=CS2)C(=O)NC(=O)OCC
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Product OPENEYE NAME: 3-benzyl-1-(4-methoxyphenyl)-2,4-dioxo-pyrimidine-5-carbonitrile
CAS Name: 1-(4-methoxyphenyl)-2,4-dioxo-3-(phenylmethyl)-5-pyrimidinecarbonitrile
IUPAC NAME: 3-benzyl-1-(4-methoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2,4-bis(oxidanylidene)-3-(phenylmethyl)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C19H15N3O3
MOLECULAR WEIGHT: 333.3407
SMILES: COC1=CC=C(C=C1)N2C=C(C(=O)N(C2=O)CC3=CC=CC=C3)C#N
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Product OPENEYE NAME: ethyl N-[3-methyl-2,4-dioxo-1-(2-thienylmethyl)pyrimidine-5-carbonyl]carbamate
CAS Name: N-[[3-methyl-2,4-dioxo-1-(thiophen-2-ylmethyl)-5-pyrimidinyl]-oxomethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[3-methyl-2,4-dioxo-1-(thiophen-2-ylmethyl)pyrimidine-5-carbonyl]carbamate
SYSTEMATIC NAME: ethyl N-[3-methyl-2,4-bis(oxidanylidene)-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]carbonylcarbamate
MOLECULAR FORMULA: C14H15N3O5S
MOLECULAR WEIGHT: 337.351
SMILES: CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CC2=CC=CS2
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Product OPENEYE NAME: 4-methyl-3-[[2-(trifluoromethyl)-4-quinolyl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione
CAS Name: 4-methyl-3-[[[2-(trifluoromethyl)-4-quinolinyl]thio]methyl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-methyl-3-[[2-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-[[2-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H11F3N4S2
MOLECULAR WEIGHT: 356.38915
SMILES: CN1C(=NNC1=S)CSC2=CC(=NC3=CC=CC=C32)C(F)(F)F
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