Sunday, June 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: O1-ethyl O3-(2-methoxy-2-oxo-ethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzene-1,3-dicarboxylate
CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-(2-methoxy-2-oxoethyl) ester
IUPAC NAME: 1-O-ethyl 3-O-(2-methoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzene-1,3-dicarboxylate
SYSTEMATIC NAME: O1-ethyl O3-(2-methoxy-2-oxidanylidene-ethyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C20H15ClF3NO9
MOLECULAR WEIGHT: 505.78261
SMILES: CCOC(=O)C1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)OCC(=O)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 5-(2-ethylsulfanylpropyl)-2-[1-(methoxyamino)butylidene]cyclohexane-1,3-dione
CAS Name: 5-[2-(ethylthio)propyl]-2-[1-(methoxyamino)butylidene]cyclohexane-1,3-dione
IUPAC NAME: 5-(2-ethylsulfanylpropyl)-2-[1-(methoxyamino)butylidene]cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-(2-ethylsulfanylpropyl)-2-[1-(methoxyamino)butylidene]cyclohexane-1,3-dione
MOLECULAR FORMULA: C16H27NO3S
MOLECULAR WEIGHT: 313.45548
SMILES: CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NOC
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Product OPENEYE NAME: 5-[2-(4-chlorophenyl)sulfanylpropyl]-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
CAS Name: 5-[2-[(4-chlorophenyl)thio]propyl]-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
IUPAC NAME: 5-[2-(4-chlorophenyl)sulfanylpropyl]-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-[2-(4-chlorophenyl)sulfanylpropyl]-2-[1-(ethoxyamino)butylidene]cyclohexane-1,3-dione
MOLECULAR FORMULA: C21H28ClNO3S
MOLECULAR WEIGHT: 409.96992
SMILES: CCCC(=C1C(=O)CC(CC1=O)CC(C)SC2=CC=C(C=C2)Cl)NOCC
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Product OPENEYE NAME: 2-[(2E)-2-ethoxyiminopropyl]-5-(2-ethylsulfanylpropyl)-3-hydroxy-cyclohex-2-en-1-one
CAS Name: 2-[(2E)-2-ethoxyiminopropyl]-5-[2-(ethylthio)propyl]-3-hydroxy-1-cyclohex-2-enone
IUPAC NAME: 2-[(2E)-2-ethoxyiminopropyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one
SYSTEMATIC NAME: 2-[(2E)-2-ethoxyiminopropyl]-5-(2-ethylsulfanylpropyl)-3-oxidanyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C16H27NO3S
MOLECULAR WEIGHT: 313.45548
SMILES: CCO/N=C(\C)/CC1=C(CC(CC1=O)CC(C)SCC)O
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Product OPENEYE NAME: 2-[1-(ethoxyamino)butylidene]-5-(2-methylsulfanylpropyl)cyclohexane-1,3-dione
CAS Name: 2-[1-(ethoxyamino)butylidene]-5-[2-(methylthio)propyl]cyclohexane-1,3-dione
IUPAC NAME: 2-[1-(ethoxyamino)butylidene]-5-(2-methylsulfanylpropyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[1-(ethoxyamino)butylidene]-5-(2-methylsulfanylpropyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C16H27NO3S
MOLECULAR WEIGHT: 313.45548
SMILES: CCCC(=C1C(=O)CC(CC1=O)CC(C)SC)NOCC
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Product OPENEYE NAME: 5-methyl-6-pyrrolidin-1-yl-pyrazine-2,3-dicarbonitrile
CAS Name: 5-methyl-6-(1-pyrrolidinyl)pyrazine-2,3-dicarbonitrile
IUPAC NAME: 5-methyl-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-methyl-6-pyrrolidin-1-yl-pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C11H11N5
MOLECULAR WEIGHT: 213.23854
SMILES: CC1=NC(=C(N=C1N2CCCC2)C#N)C#N
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Product OPENEYE NAME: 5-benzyloxy-6-butyl-pyrazine-2,3-dicarbonitrile
CAS Name: 5-butyl-6-phenylmethoxypyrazine-2,3-dicarbonitrile
IUPAC NAME: 5-butyl-6-phenylmethoxypyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-butyl-6-phenylmethoxy-pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C17H16N4O
MOLECULAR WEIGHT: 292.33514
SMILES: CCCCC1=NC(=C(N=C1OCC2=CC=CC=C2)C#N)C#N
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Product OPENEYE NAME: 2-[3-(5,6-dicyano-3-methyl-pyrazin-2-yl)oxyphenoxy]acetic acid
CAS Name: 2-[3-[(5,6-dicyano-3-methyl-2-pyrazinyl)oxy]phenoxy]acetic acid
IUPAC NAME: 2-[3-(5,6-dicyano-3-methylpyrazin-2-yl)oxyphenoxy]acetic acid
SYSTEMATIC NAME: 2-[3-(5,6-dicyano-3-methyl-pyrazin-2-yl)oxyphenoxy]ethanoic acid
MOLECULAR FORMULA: C15H10N4O4
MOLECULAR WEIGHT: 310.2643
SMILES: CC1=NC(=C(N=C1OC2=CC(=CC=C2)OCC(=O)O)C#N)C#N
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Product OPENEYE NAME: 5-(ethylamino)-6-phenyl-pyrazine-2,3-dicarbonitrile; 2-phenylpyrazine
CAS Name: 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile; 2-phenylpyrazine
IUPAC NAME: 5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile; 2-phenylpyrazine
SYSTEMATIC NAME: 5-(ethylamino)-6-phenyl-pyrazine-2,3-dicarbonitrile; 2-phenylpyrazine
MOLECULAR FORMULA: C24H19N7
MOLECULAR WEIGHT: 405.45456
SMILES: CCNC1=NC(=C(N=C1C2=CC=CC=C2)C#N)C#N.C1=CC=C(C=C1)C2=NC=CN=C2
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Product OPENEYE NAME: 5-hexyl-6-(propylamino)pyrazine-2,3-dicarbonitrile
CAS Name: 5-hexyl-6-(propylamino)pyrazine-2,3-dicarbonitrile
IUPAC NAME: 5-hexyl-6-(propylamino)pyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-hexyl-6-(propylamino)pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C15H21N5
MOLECULAR WEIGHT: 271.36074
SMILES: CCCCCCC1=NC(=C(N=C1NCCC)C#N)C#N
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Product OPENEYE NAME: 5-(pentylamino)-6-propyl-pyrazine-2,3-dicarbonitrile
CAS Name: 5-(pentylamino)-6-propylpyrazine-2,3-dicarbonitrile
IUPAC NAME: 5-(pentylamino)-6-propylpyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-(pentylamino)-6-propyl-pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C14H19N5
MOLECULAR WEIGHT: 257.33416
SMILES: CCCCCNC1=NC(=C(N=C1CCC)C#N)C#N
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Product OPENEYE NAME: [4-(5,6-dicyano-3-propyl-pyrazin-2-yl)oxyphenyl] acetate
CAS Name: acetic acid [4-[(5,6-dicyano-3-propyl-2-pyrazinyl)oxy]phenyl] ester
IUPAC NAME: [4-(5,6-dicyano-3-propylpyrazin-2-yl)oxyphenyl] acetate
SYSTEMATIC NAME: [4-(5,6-dicyano-3-propyl-pyrazin-2-yl)oxyphenyl] ethanoate
MOLECULAR FORMULA: C17H14N4O3
MOLECULAR WEIGHT: 322.31806
SMILES: CCCC1=NC(=C(N=C1OC2=CC=C(C=C2)OC(=O)C)C#N)C#N
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Product OPENEYE NAME: [4-(5,6-dicyano-3-propyl-pyrazin-2-yl)oxyphenyl] N-methylcarbamate
CAS Name: N-methylcarbamic acid [4-[(5,6-dicyano-3-propyl-2-pyrazinyl)oxy]phenyl] ester
IUPAC NAME: [4-(5,6-dicyano-3-propylpyrazin-2-yl)oxyphenyl] N-methylcarbamate
SYSTEMATIC NAME: [4-(5,6-dicyano-3-propyl-pyrazin-2-yl)oxyphenyl] N-methylcarbamate
MOLECULAR FORMULA: C17H15N5O3
MOLECULAR WEIGHT: 337.3327
SMILES: CCCC1=NC(=C(N=C1OC2=CC=C(C=C2)OC(=O)NC)C#N)C#N
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Product OPENEYE NAME: 5-[(4-chlorophenyl)methylsulfanyl]-6-phenyl-pyrazine-2,3-dicarbonitrile
CAS Name: 5-[(4-chlorophenyl)methylthio]-6-phenylpyrazine-2,3-dicarbonitrile
IUPAC NAME: 5-[(4-chlorophenyl)methylsulfanyl]-6-phenylpyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-[(4-chlorophenyl)methylsulfanyl]-6-phenyl-pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C19H11ClN4S
MOLECULAR WEIGHT: 362.83544
SMILES: C1=CC=C(C=C1)C2=NC(=C(N=C2SCC3=CC=C(C=C3)Cl)C#N)C#N
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Product OPENEYE NAME: 5-benzylsulfanyl-6-phenyl-pyrazine-2,3-dicarbonitrile
CAS Name: 5-phenyl-6-(phenylmethylthio)pyrazine-2,3-dicarbonitrile
IUPAC NAME: 5-benzylsulfanyl-6-phenylpyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-phenyl-6-(phenylmethylsulfanyl)pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C19H12N4S
MOLECULAR WEIGHT: 328.39038
SMILES: C1=CC=C(C=C1)CSC2=NC(=C(N=C2C3=CC=CC=C3)C#N)C#N
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Product OPENEYE NAME: 5-benzyl-6-(benzylamino)pyrazine-2,3-dicarbonitrile
CAS Name: 5-(phenylmethyl)-6-[(phenylmethyl)amino]pyrazine-2,3-dicarbonitrile
IUPAC NAME: 5-benzyl-6-(benzylamino)pyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: 5-(phenylmethyl)-6-[(phenylmethyl)amino]pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C20H15N5
MOLECULAR WEIGHT: 325.3666
SMILES: C1=CC=C(C=C1)CC2=NC(=C(N=C2NCC3=CC=CC=C3)C#N)C#N
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