Friday, September 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [(Z)-(1-ethyl-2-pyridylidene)methyl]-oxo-ammonium iodide
CAS Name: [(Z)-(1-ethyl-2-pyridinylidene)methyl]-oxoammonium iodide
IUPAC NAME: [(Z)-(1-ethylpyridin-2-ylidene)methyl]-oxoazanium iodide
SYSTEMATIC NAME: [(Z)-(1-ethylpyridin-2-ylidene)methyl]-oxidanylidene-azanium iodide
MOLECULAR FORMULA: C8H11IN2O
MOLECULAR WEIGHT: 278.09021
SMILES: CCN\1C=CC=C/C1=C/[NH+]=O.[I-]
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Product OPENEYE NAME: (2Z)-1-ethyl-2-(nitrosomethylene)pyridine
CAS Name: (2Z)-1-ethyl-2-(nitrosomethylidene)pyridine
IUPAC NAME: (2Z)-1-ethyl-2-(nitrosomethylidene)pyridine
SYSTEMATIC NAME: (2Z)-1-ethyl-2-(nitrosomethylidene)pyridine
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CCN\1C=CC=C/C1=C/N=O
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Product OPENEYE NAME: 2-iodo-N-methoxy-propan-1-imine
CAS Name: 2-iodo-N-methoxy-1-propanimine
IUPAC NAME: 2-iodo-N-methoxypropan-1-imine
SYSTEMATIC NAME: 2-iodanyl-N-methoxy-propan-1-imine
MOLECULAR FORMULA: C4H8INO
MOLECULAR WEIGHT: 213.01689
SMILES: CC(/C=N/OC)I
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Product OPENEYE NAME: (1E)-2-iodopropanal oxime
CAS Name: (1E)-2-iodopropanal oxime
IUPAC NAME: (NE)-N-(2-iodopropylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(2-iodanylpropylidene)hydroxylamine
MOLECULAR FORMULA: C3H6INO
MOLECULAR WEIGHT: 198.99031
SMILES: CC(/C=N/O)I
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Product OPENEYE NAME: (4E)-1-methylpiperidine-4-carbaldehyde oxime hydrochloride
CAS Name: (4E)-1-methyl-4-piperidinecarboxaldehyde oxime hydrochloride
IUPAC NAME: (NE)-N-[(1-methylpiperidin-4-yl)methylidene]hydroxylamine hydrochloride
SYSTEMATIC NAME: (NE)-N-[(1-methylpiperidin-4-yl)methylidene]hydroxylamine hydrochloride
MOLECULAR FORMULA: C7H15ClN2O
MOLECULAR WEIGHT: 178.6598
SMILES: CN1CCC(CC1)/C=N/O.Cl
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Product OPENEYE NAME: (1Z)-N-methoxyacetimidoyl iodide
CAS Name: (1Z)-N-methoxyethanimidoyl iodide
IUPAC NAME: (1Z)-N-methoxyethanimidoyl iodide
SYSTEMATIC NAME: (1Z)-N-methoxyethanimidoyl iodide
MOLECULAR FORMULA: C3H6INO
MOLECULAR WEIGHT: 198.99031
SMILES: C/C(=N/OC)/I
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Product OPENEYE NAME: dioxane-3,3-diol
CAS Name: dioxane-3,3-diol
IUPAC NAME: dioxane-3,3-diol
SYSTEMATIC NAME: 1,2-dioxane-3,3-diol
MOLECULAR FORMULA: C4H8O4
MOLECULAR WEIGHT: 120.10392
SMILES: C1CC(OOC1)(O)O
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Product OPENEYE NAME: phenyl-[4,4,6,6-tetrakis(oxiran-2-ylmethoxy)cyclohex-2-en-1-yl]methanone
CAS Name: phenyl-[4,4,6,6-tetrakis(2-oxiranylmethoxy)-1-cyclohex-2-enyl]methanone
IUPAC NAME: phenyl-[4,4,6,6-tetrakis(oxiran-2-ylmethoxy)cyclohex-2-en-1-yl]methanone
SYSTEMATIC NAME: phenyl-[4,4,6,6-tetrakis(oxiran-2-ylmethoxy)cyclohex-2-en-1-yl]methanone
MOLECULAR FORMULA: C25H30O9
MOLECULAR WEIGHT: 474.5003
SMILES: C1C(O1)COC2(CC(C(C=C2)C(=O)C3=CC=CC=C3)(OCC4CO4)OCC5CO5)OCC6CO6
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Product OPENEYE NAME: 3-propoxynonane
CAS Name: 3-propoxynonane
IUPAC NAME: 3-propoxynonane
SYSTEMATIC NAME: 3-propoxynonane
MOLECULAR FORMULA: C12H26O
MOLECULAR WEIGHT: 186.33424
SMILES: CCCCCCC(CC)OCCC
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Product OPENEYE NAME: (2E)-N-(2-aminoacetyl)-2-(2-aminothiazol-4-yl)-2-methoxyimino-N-phenyl-acetamide
CAS Name: (2E)-N-(2-amino-1-oxoethyl)-2-(2-amino-4-thiazolyl)-2-methoxyimino-N-phenylacetamide
IUPAC NAME: (2E)-N-(2-aminoacetyl)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-phenylacetamide
SYSTEMATIC NAME: (2E)-N-(2-azanylethanoyl)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-N-phenyl-ethanamide
MOLECULAR FORMULA: C14H15N5O3S
MOLECULAR WEIGHT: 333.3656
SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N(C2=CC=CC=C2)C(=O)CN
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Product OPENEYE NAME: (2E)-2-(1H-pyrazol-5-ylmethoxyimino)acetamide
CAS Name: (2E)-2-(1H-pyrazol-5-ylmethoxyimino)acetamide
IUPAC NAME: (2E)-2-(1H-pyrazol-5-ylmethoxyimino)acetamide
SYSTEMATIC NAME: (2E)-2-(1H-pyrazol-5-ylmethoxyimino)ethanamide
MOLECULAR FORMULA: C6H8N4O2
MOLECULAR WEIGHT: 168.15332
SMILES: C1=C(NN=C1)CO/N=C/C(=O)N
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Product OPENEYE NAME: N-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]thioacetamide
CAS Name: N-[1-[2-(dimethylamino)ethyl]-5-tetrazolyl]ethanethioamide
IUPAC NAME: N-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]ethanethioamide
SYSTEMATIC NAME: N-[1-[2-(dimethylamino)ethyl]-1,2,3,4-tetrazol-5-yl]ethanethioamide
MOLECULAR FORMULA: C7H14N6S
MOLECULAR WEIGHT: 214.29126
SMILES: CC(=S)NC1=NN=NN1CCN(C)C
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Product OPENEYE NAME: 4-amino-5-[(2-amino-1-methyl-2-oxo-ethyl)amino]-5-oxo-pentanoic acid
CAS Name: 4-amino-5-[(1-amino-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
IUPAC NAME: 4-amino-5-[(1-amino-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 4-azanyl-5-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C8H15N3O4
MOLECULAR WEIGHT: 217.2224
SMILES: CC(C(=O)N)NC(=O)C(CCC(=O)O)N
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Product OPENEYE NAME: tert-butyl N-[1-(2,4-dioxotetrahydropyran-3-yl)ethyl]carbamate
CAS Name: N-[1-(2,4-dioxo-3-oxanyl)ethyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[1-(2,4-dioxooxan-3-yl)ethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[1-[2,4-bis(oxidanylidene)oxan-3-yl]ethyl]carbamate
MOLECULAR FORMULA: C12H19NO5
MOLECULAR WEIGHT: 257.28296
SMILES: CC(C1C(=O)CCOC1=O)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl N-[1-(2-oxotetrahydropyran-3-yl)ethyl]carbamate
CAS Name: N-[1-(2-oxo-3-oxanyl)ethyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[1-(2-oxooxan-3-yl)ethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[1-(2-oxidanylideneoxan-3-yl)ethyl]carbamate
MOLECULAR FORMULA: C12H21NO4
MOLECULAR WEIGHT: 243.29944
SMILES: CC(C1CCCOC1=O)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: methyl 2-[(E)-(2-amino-2-oxo-ethylidene)amino]oxy-2-methyl-propanoate
CAS Name: 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoic acid methyl ester
IUPAC NAME: methyl 2-[(E)-(2-amino-2-oxoethylidene)amino]oxy-2-methylpropanoate
SYSTEMATIC NAME: methyl 2-[(E)-(2-azanyl-2-oxidanylidene-ethylidene)amino]oxy-2-methyl-propanoate
MOLECULAR FORMULA: C7H12N2O4
MOLECULAR WEIGHT: 188.18118
SMILES: CC(C)(C(=O)OC)O/N=C/C(=O)N
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Product OPENEYE NAME: ethanethioyl(vinyl)carbamic acid
CAS Name: ethenyl(1-sulfanylideneethyl)carbamic acid
IUPAC NAME: ethanethioyl(ethenyl)carbamic acid
SYSTEMATIC NAME: ethanethioyl(ethenyl)carbamic acid
MOLECULAR FORMULA: C5H7NO2S
MOLECULAR WEIGHT: 145.17958
SMILES: CC(=S)N(C=C)C(=O)O
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Product OPENEYE NAME: 2H-thiopyran 1-oxide
CAS Name: 2H-thiopyran 1-oxide
IUPAC NAME: 2H-thiopyran 1-oxide
SYSTEMATIC NAME: 2H-thiopyran 1-oxide
MOLECULAR FORMULA: C5H6OS
MOLECULAR WEIGHT: 114.16554
SMILES: C1C=CC=CS1=O
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Product OPENEYE NAME: 2-amino-N-[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]propanamide
CAS Name: 2-amino-N-[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]propanamide
IUPAC NAME: 2-amino-N-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]propanamide
SYSTEMATIC NAME: 2-azanyl-N-[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]propanamide
MOLECULAR FORMULA: C9H13N5O3S
MOLECULAR WEIGHT: 271.29622
SMILES: CC(C(=O)NC(=O)/C(=N/OC)/C1=CSC(=N1)N)N
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Product OPENEYE NAME: 2-acetylazooxy-2-methyl-propanoic acid
CAS Name: 2-acetylazooxy-2-methylpropanoic acid
IUPAC NAME: 2-(acetyldiazenyl)oxy-2-methylpropanoic acid
SYSTEMATIC NAME: 2-(ethanoyldiazenyl)oxy-2-methyl-propanoic acid
MOLECULAR FORMULA: C6H10N2O4
MOLECULAR WEIGHT: 174.1546
SMILES: CC(=O)N=NOC(C)(C)C(=O)O
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Product OPENEYE NAME: 2,3-dimethyl-5-phenyl-imidazolidin-4-one
CAS Name: 2,3-dimethyl-5-phenyl-4-imidazolidinone
IUPAC NAME: 2,3-dimethyl-5-phenylimidazolidin-4-one
SYSTEMATIC NAME: 2,3-dimethyl-5-phenyl-imidazolidin-4-one
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: CC1NC(C(=O)N1C)C2=CC=CC=C2
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Product OPENEYE NAME: N-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxamide
CAS Name: N-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamide
IUPAC NAME: N-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: N-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C11H8ClFN2O2
MOLECULAR WEIGHT: 254.644823
SMILES: CC1=C(C=NO1)C(=O)NC2=C(C=CC=C2Cl)F
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Product OPENEYE NAME: butane-1,2,3,4-tetrol; 2-sulfanylacetic acid
CAS Name: butane-1,2,3,4-tetrol; 2-mercaptoacetic acid
IUPAC NAME: butane-1,2,3,4-tetrol; 2-sulfanylacetic acid
SYSTEMATIC NAME: butane-1,2,3,4-tetrol; 2-sulfanylethanoic acid
MOLECULAR FORMULA: C16H34O16S6
MOLECULAR WEIGHT: 674.82156
SMILES: C(C(C(CO)O)O)O.C(C(=O)O)S.C(C(=O)O)S.C(C(=O)O)S.C(C(=O)O)S.C(C(=O)O)S.C(C(=O)O)S
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