Friday, April 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1a,4-dimethoxy-1,2,3,7b-tetrahydrocyclopropa[a]naphthalene
CAS Name: 1a,4-dimethoxy-1,2,3,7b-tetrahydrocyclopropa[a]naphthalene
IUPAC NAME: 1a,4-dimethoxy-1,2,3,7b-tetrahydrocyclopropa[a]naphthalene
SYSTEMATIC NAME: 1a,4-dimethoxy-1,2,3,7b-tetrahydrocyclopropa[a]naphthalene
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: COC1=CC=CC2=C1CCC3(C2C3)OC
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Product OPENEYE NAME: ethyl 2-bromo-2-ethoxy-acetate
CAS Name: 2-bromo-2-ethoxyacetic acid ethyl ester
IUPAC NAME: ethyl 2-bromo-2-ethoxyacetate
SYSTEMATIC NAME: ethyl 2-bromanyl-2-ethoxy-ethanoate
MOLECULAR FORMULA: C6H11BrO3
MOLECULAR WEIGHT: 211.05374
SMILES: CCOC(C(=O)OCC)Br
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Product OPENEYE NAME: 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanol
CAS Name: 2-[2-(2-oxiranylmethoxy)ethoxy]ethanol
IUPAC NAME: 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-(oxiran-2-ylmethoxy)ethoxy]ethanol
MOLECULAR FORMULA: C7H14O4
MOLECULAR WEIGHT: 162.18366
SMILES: C1C(O1)COCCOCCO
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Product OPENEYE NAME: methyl 2-fluoro-5-methoxy-benzoate
CAS Name: 2-fluoro-5-methoxybenzoic acid methyl ester
IUPAC NAME: methyl 2-fluoro-5-methoxybenzoate
SYSTEMATIC NAME: methyl 2-fluoranyl-5-methoxy-benzoate
MOLECULAR FORMULA: C9H9FO3
MOLECULAR WEIGHT: 184.164363
SMILES: COC1=CC(=C(C=C1)F)C(=O)OC
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Product OPENEYE NAME: 1-fluoro-3-methoxy-2-methyl-benzene
CAS Name: 1-fluoro-3-methoxy-2-methylbenzene
IUPAC NAME: 1-fluoro-3-methoxy-2-methylbenzene
SYSTEMATIC NAME: 1-fluoranyl-3-methoxy-2-methyl-benzene
MOLECULAR FORMULA: C8H9FO
MOLECULAR WEIGHT: 140.154863
SMILES: CC1=C(C=CC=C1F)OC
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Product OPENEYE NAME: 2-amino-1-(2-furylmethyl)-4,5-diphenyl-pyrrole-3-carbonitrile
CAS Name: 2-amino-1-(2-furanylmethyl)-4,5-diphenyl-3-pyrrolecarbonitrile
IUPAC NAME: 2-amino-1-(furan-2-ylmethyl)-4,5-diphenylpyrrole-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-1-(furan-2-ylmethyl)-4,5-diphenyl-pyrrole-3-carbonitrile
MOLECULAR FORMULA: C22H17N3O
MOLECULAR WEIGHT: 339.38988
SMILES: C1=CC=C(C=C1)C2=C(N(C(=C2C#N)N)CC3=CC=CO3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-amino-1-isopropyl-4,5-dimethyl-pyrrole-3-carbonitrile
CAS Name: 2-amino-4,5-dimethyl-1-propan-2-yl-3-pyrrolecarbonitrile
IUPAC NAME: 2-amino-4,5-dimethyl-1-propan-2-ylpyrrole-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4,5-dimethyl-1-propan-2-yl-pyrrole-3-carbonitrile
MOLECULAR FORMULA: C10H15N3
MOLECULAR WEIGHT: 177.2462
SMILES: CC1=C(N(C(=C1C#N)N)C(C)C)C
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Product OPENEYE NAME: 2-amino-1-cyclopentyl-4,5-dimethyl-pyrrole-3-carbonitrile
CAS Name: 2-amino-1-cyclopentyl-4,5-dimethyl-3-pyrrolecarbonitrile
IUPAC NAME: 2-amino-1-cyclopentyl-4,5-dimethylpyrrole-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-1-cyclopentyl-4,5-dimethyl-pyrrole-3-carbonitrile
MOLECULAR FORMULA: C12H17N3
MOLECULAR WEIGHT: 203.28348
SMILES: CC1=C(N(C(=C1C#N)N)C2CCCC2)C
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Product OPENEYE NAME: 2-amino-1-(2-furylmethyl)-4,5,6,7-tetrahydroindole-3-carbonitrile
CAS Name: 2-amino-1-(2-furanylmethyl)-4,5,6,7-tetrahydroindole-3-carbonitrile
IUPAC NAME: 2-amino-1-(furan-2-ylmethyl)-4,5,6,7-tetrahydroindole-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-1-(furan-2-ylmethyl)-4,5,6,7-tetrahydroindole-3-carbonitrile
MOLECULAR FORMULA: C14H15N3O
MOLECULAR WEIGHT: 241.2884
SMILES: C1CCC2=C(C1)C(=C(N2CC3=CC=CO3)N)C#N
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Product OPENEYE NAME: 5,6-dimethyl-7-(2-thienylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CAS Name: 5,6-dimethyl-7-(thiophen-2-ylmethyl)-4-pyrrolo[2,3-d]pyrimidinamine
IUPAC NAME: 5,6-dimethyl-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 5,6-dimethyl-7-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: CC1=C(N(C2=C1C(=NC=N2)N)CC3=CC=CS3)C
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Product OPENEYE NAME: 7-isopropyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Name: 5,6-dimethyl-7-propan-2-yl-4-pyrrolo[2,3-d]pyrimidinamine
IUPAC NAME: 5,6-dimethyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 5,6-dimethyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C11H16N4
MOLECULAR WEIGHT: 204.27154
SMILES: CC1=C(N(C2=C1C(=NC=N2)N)C(C)C)C
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