Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 4-(1-piperidyl)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
CAS Name: 4-(1-piperidinyl)-2-(trifluoromethyl)-7-thieno[3,4-b]pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
SYSTEMATIC NAME: methyl 4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
MOLECULAR FORMULA: C15H15F3N2O2S
MOLECULAR WEIGHT: 344.35201
SMILES: COC(=O)C1=C2C(=CS1)C(=CC(=N2)C(F)(F)F)N3CCCCC3
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Product OPENEYE NAME: 6-(4-chlorophenyl)sulfanyl-N-methyl-5-nitro-pyrimidin-4-amine
CAS Name: 6-[(4-chlorophenyl)thio]-N-methyl-5-nitro-4-pyrimidinamine
IUPAC NAME: 6-(4-chlorophenyl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
SYSTEMATIC NAME: 6-(4-chlorophenyl)sulfanyl-N-methyl-5-nitro-pyrimidin-4-amine
MOLECULAR FORMULA: C11H9ClN4O2S
MOLECULAR WEIGHT: 296.73276
SMILES: CNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-5-nitro-pyrimidin-4-amine
CAS Name: N-methyl-6-[(1-methyl-2-imidazolyl)thio]-5-nitro-4-pyrimidinamine
IUPAC NAME: N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-5-nitropyrimidin-4-amine
SYSTEMATIC NAME: N-methyl-6-(1-methylimidazol-2-yl)sulfanyl-5-nitro-pyrimidin-4-amine
MOLECULAR FORMULA: C9H10N6O2S
MOLECULAR WEIGHT: 266.2797
SMILES: CNC1=C(C(=NC=N1)SC2=NC=CN2C)[N+](=O)[O-]
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Product OPENEYE NAME: 6-isopropylsulfanyl-N-methyl-5-nitro-pyrimidin-4-amine
CAS Name: N-methyl-5-nitro-6-(propan-2-ylthio)-4-pyrimidinamine
IUPAC NAME: N-methyl-5-nitro-6-propan-2-ylsulfanylpyrimidin-4-amine
SYSTEMATIC NAME: N-methyl-5-nitro-6-propan-2-ylsulfanyl-pyrimidin-4-amine
MOLECULAR FORMULA: C8H12N4O2S
MOLECULAR WEIGHT: 228.27148
SMILES: CC(C)SC1=NC=NC(=C1[N+](=O)[O-])NC
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Product OPENEYE NAME: 2-[4-(4-benzhydrylpiperazin-1-yl)butyl]isoindoline-1,3-dione
CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]isoindole-1,3-dione
IUPAC NAME: 2-[4-(4-benzhydrylpiperazin-1-yl)butyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]isoindole-1,3-dione
MOLECULAR FORMULA: C29H31N3O2
MOLECULAR WEIGHT: 453.57534
SMILES: C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 2-(3-benzyl-1-isopropyl-2,4-dioxo-pyrimidin-5-yl)-N'-(2,2-dimethylpropanoyl)thiazole-4-carbohydrazide
CAS Name: N'-(2,2-dimethyl-1-oxopropyl)-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)-N'-(2,2-dimethylpropanoyl)-1,3-thiazole-4-carbohydrazide
SYSTEMATIC NAME: 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidin-5-yl]-N'-(2,2-dimethylpropanoyl)-1,3-thiazole-4-carbohydrazide
MOLECULAR FORMULA: C23H27N5O4S
MOLECULAR WEIGHT: 469.55658
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NC(=CS3)C(=O)NNC(=O)C(C)(C)C
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Product OPENEYE NAME: 2-(3-benzyl-1-isopropyl-2,4-dioxo-pyrimidin-5-yl)-N'-(2-chlorobenzoyl)thiazole-4-carbohydrazide
CAS Name: N'-[(2-chlorophenyl)-oxomethyl]-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)-N'-(2-chlorobenzoyl)-1,3-thiazole-4-carbohydrazide
SYSTEMATIC NAME: 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidin-5-yl]-N'-(2-chlorophenyl)carbonyl-1,3-thiazole-4-carbohydrazide
MOLECULAR FORMULA: C25H22ClN5O4S
MOLECULAR WEIGHT: 523.99128
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NC(=CS3)C(=O)NNC(=O)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 2-(3-benzyl-1-isopropyl-2,4-dioxo-pyrimidin-5-yl)-N'-(thiophene-2-carbonyl)thiazole-4-carbohydrazide
CAS Name: 2-[2,4-dioxo-3-(phenylmethyl)-1-propan-2-yl-5-pyrimidinyl]-N'-[oxo(thiophen-2-yl)methyl]-4-thiazolecarbohydrazide
IUPAC NAME: 2-(3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SYSTEMATIC NAME: 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidin-5-yl]-N'-thiophen-2-ylcarbonyl-1,3-thiazole-4-carbohydrazide
MOLECULAR FORMULA: C23H21N5O4S2
MOLECULAR WEIGHT: 495.57394
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NC(=CS3)C(=O)NNC(=O)C4=CC=CS4
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Product OPENEYE NAME: N-methyl-5-nitro-6-(1-piperidyl)pyrimidin-4-amine
CAS Name: N-methyl-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine
IUPAC NAME: N-methyl-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
SYSTEMATIC NAME: N-methyl-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C10H15N5O2
MOLECULAR WEIGHT: 237.2584
SMILES: CNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCC2
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Product OPENEYE NAME: N-methyl-6-morpholino-5-nitro-pyrimidin-4-amine
CAS Name: N-methyl-6-(4-morpholinyl)-5-nitro-4-pyrimidinamine
IUPAC NAME: N-methyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
SYSTEMATIC NAME: N-methyl-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine
MOLECULAR FORMULA: C9H13N5O3
MOLECULAR WEIGHT: 239.23122
SMILES: CNC1=NC=NC(=C1[N+](=O)[O-])N2CCOCC2
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Product OPENEYE NAME: N-methyl-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine
CAS Name: N-methyl-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine
IUPAC NAME: N-methyl-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
SYSTEMATIC NAME: N-methyl-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C9H13N5O2
MOLECULAR WEIGHT: 223.23182
SMILES: CNC1=NC=NC(=C1[N+](=O)[O-])N2CCCC2
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Product OPENEYE NAME: 6-(4-chlorophenoxy)-N-methyl-5-nitro-pyrimidin-4-amine
CAS Name: 6-(4-chlorophenoxy)-N-methyl-5-nitro-4-pyrimidinamine
IUPAC NAME: 6-(4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
SYSTEMATIC NAME: 6-(4-chloranylphenoxy)-N-methyl-5-nitro-pyrimidin-4-amine
MOLECULAR FORMULA: C11H9ClN4O3
MOLECULAR WEIGHT: 280.66716
SMILES: CNC1=C(C(=NC=N1)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 6-(4-methoxyphenoxy)-N-methyl-5-nitro-pyrimidin-4-amine
CAS Name: 6-(4-methoxyphenoxy)-N-methyl-5-nitro-4-pyrimidinamine
IUPAC NAME: 6-(4-methoxyphenoxy)-N-methyl-5-nitropyrimidin-4-amine
SYSTEMATIC NAME: 6-(4-methoxyphenoxy)-N-methyl-5-nitro-pyrimidin-4-amine
MOLECULAR FORMULA: C12H12N4O4
MOLECULAR WEIGHT: 276.24808
SMILES: CNC1=C(C(=NC=N1)OC2=CC=C(C=C2)OC)[N+](=O)[O-]
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Product OPENEYE NAME: N-methyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CAS Name: N-methyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]-4-pyrimidinamine
IUPAC NAME: N-methyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SYSTEMATIC NAME: N-methyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
MOLECULAR FORMULA: C12H9F3N4O3
MOLECULAR WEIGHT: 314.22007
SMILES: CNC1=C(C(=NC=N1)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[5-(4-tert-butylthiazol-2-yl)-3-isopropyl-2,6-dioxo-pyrimidin-1-yl]acetate
CAS Name: 2-[5-(4-tert-butyl-2-thiazolyl)-2,6-dioxo-3-propan-2-yl-1-pyrimidinyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2,6-dioxo-3-propan-2-ylpyrimidin-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2,6-bis(oxidanylidene)-3-propan-2-yl-pyrimidin-1-yl]ethanoate
MOLECULAR FORMULA: C18H25N3O4S
MOLECULAR WEIGHT: 379.4738
SMILES: CCOC(=O)CN1C(=O)C(=CN(C1=O)C(C)C)C2=NC(=CS2)C(C)(C)C
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Product OPENEYE NAME: ethyl 2-[5-[4-(4-chlorophenyl)thiazol-2-yl]-3-isopropyl-2,6-dioxo-pyrimidin-1-yl]acetate
CAS Name: 2-[5-[4-(4-chlorophenyl)-2-thiazolyl]-2,6-dioxo-3-propan-2-yl-1-pyrimidinyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,6-dioxo-3-propan-2-ylpyrimidin-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,6-bis(oxidanylidene)-3-propan-2-yl-pyrimidin-1-yl]ethanoate
MOLECULAR FORMULA: C20H20ClN3O4S
MOLECULAR WEIGHT: 433.9085
SMILES: CCOC(=O)CN1C(=O)C(=CN(C1=O)C(C)C)C2=NC(=CS2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: ethyl 2-[3-isopropyl-2,6-dioxo-5-(4-phenylthiazol-2-yl)pyrimidin-1-yl]acetate
CAS Name: 2-[2,6-dioxo-5-(4-phenyl-2-thiazolyl)-3-propan-2-yl-1-pyrimidinyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[2,6-dioxo-5-(4-phenyl-1,3-thiazol-2-yl)-3-propan-2-ylpyrimidin-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[2,6-bis(oxidanylidene)-5-(4-phenyl-1,3-thiazol-2-yl)-3-propan-2-yl-pyrimidin-1-yl]ethanoate
MOLECULAR FORMULA: C20H21N3O4S
MOLECULAR WEIGHT: 399.46344
SMILES: CCOC(=O)CN1C(=O)C(=CN(C1=O)C(C)C)C2=NC(=CS2)C3=CC=CC=C3
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Product OPENEYE NAME: N'-(4-chlorobenzoyl)-4-methoxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carbohydrazide
CAS Name: N'-[(4-chlorophenyl)-oxomethyl]-4-methoxy-2-(trifluoromethyl)-7-thieno[3,4-b]pyridinecarbohydrazide
IUPAC NAME: N'-(4-chlorobenzoyl)-4-methoxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carbohydrazide
SYSTEMATIC NAME: N'-(4-chlorophenyl)carbonyl-4-methoxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carbohydrazide
MOLECULAR FORMULA: C17H11ClF3N3O3S
MOLECULAR WEIGHT: 429.80075
SMILES: COC1=CC(=NC2=C(SC=C12)C(=O)NNC(=O)C3=CC=C(C=C3)Cl)C(F)(F)F
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Product OPENEYE NAME: methyl 4-(4-chlorophenoxy)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
CAS Name: 4-(4-chlorophenoxy)-2-(trifluoromethyl)-7-thieno[3,4-b]pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-(4-chlorophenoxy)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
SYSTEMATIC NAME: methyl 4-(4-chloranylphenoxy)-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
MOLECULAR FORMULA: C16H9ClF3NO3S
MOLECULAR WEIGHT: 387.76077
SMILES: COC(=O)C1=C2C(=CS1)C(=CC(=N2)C(F)(F)F)OC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-(3-benzyl-1-isopropyl-2,4-dioxo-pyrimidin-5-yl)-N'-(4-chlorophenyl)sulfonyl-thiazole-4-carbohydrazide
CAS Name: N'-(4-chlorophenyl)sulfonyl-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)-N'-(4-chlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
SYSTEMATIC NAME: 2-[2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidin-5-yl]-N'-(4-chlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
MOLECULAR FORMULA: C24H22ClN5O5S2
MOLECULAR WEIGHT: 560.04498
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NC(=CS3)C(=O)NNS(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: methyl 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate
CAS Name: 2-[[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate
SYSTEMATIC NAME: methyl 2-[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoate
MOLECULAR FORMULA: C14H16F3N3O2S
MOLECULAR WEIGHT: 347.35595
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2SCC(=O)OC)C(F)(F)F
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Product OPENEYE NAME: methyl 2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]thieno[3,4-b]pyridine-7-carboxylate
CAS Name: 2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]-7-thieno[3,4-b]pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]thieno[3,4-b]pyridine-7-carboxylate
SYSTEMATIC NAME: methyl 2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]thieno[3,4-b]pyridine-7-carboxylate
MOLECULAR FORMULA: C17H9F6NO3S
MOLECULAR WEIGHT: 421.313679
SMILES: COC(=O)C1=C2C(=CS1)C(=CC(=N2)C(F)(F)F)OC3=CC=CC=C3C(F)(F)F
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