Wednesday, July 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 7-(diethylamino)-4-methyl-chromen-2-one
CAS Name: 7-(diethylamino)-4-methyl-1-benzopyran-2-one
IUPAC NAME: 7-(diethylamino)-4-methylchromen-2-one
SYSTEMATIC NAME: 7-(diethylamino)-4-methyl-chromen-2-one
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
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Product OPENEYE NAME: N-butyl-N-phenyl-acetamide
CAS Name: N-butyl-N-phenylacetamide
IUPAC NAME: N-butyl-N-phenylacetamide
SYSTEMATIC NAME: N-butyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CCCCN(C1=CC=CC=C1)C(=O)C
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Product OPENEYE NAME: 2,4-dimethoxybenzoic acid
CAS Name: 2,4-dimethoxybenzoic acid
IUPAC NAME: 2,4-dimethoxybenzoic acid
SYSTEMATIC NAME: 2,4-dimethoxybenzoic acid
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: COC1=CC(=C(C=C1)C(=O)O)OC
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Product OPENEYE NAME: 2,3-dimethyl-1H-indole
CAS Name: 2,3-dimethyl-1H-indole
IUPAC NAME: 2,3-dimethyl-1H-indole
SYSTEMATIC NAME: 2,3-dimethyl-1H-indole
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC1=C(NC2=CC=CC=C12)C
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Product OPENEYE NAME: indoline-2,3-dione
CAS Name: 1H-indole-2,3-dione
IUPAC NAME: 1H-indole-2,3-dione
SYSTEMATIC NAME: 1H-indole-2,3-dione
MOLECULAR FORMULA: C8H5NO2
MOLECULAR WEIGHT: 147.1308
SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2
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Product OPENEYE NAME: 2-methylnaphthalene
CAS Name: 2-methylnaphthalene
IUPAC NAME: 2-methylnaphthalene
SYSTEMATIC NAME: 2-methylnaphthalene
MOLECULAR FORMULA: C11H10
MOLECULAR WEIGHT: 142.1971
SMILES: CC1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: 2-chloronaphthalene
CAS Name: 2-chloronaphthalene
IUPAC NAME: 2-chloronaphthalene
SYSTEMATIC NAME: 2-chloranylnaphthalene
MOLECULAR FORMULA: C10H7Cl
MOLECULAR WEIGHT: 162.61558
SMILES: C1=CC=C2C=C(C=CC2=C1)Cl
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Product OPENEYE NAME: naphthalen-2-amine
CAS Name: 2-naphthalenamine
IUPAC NAME: naphthalen-2-amine
SYSTEMATIC NAME: naphthalen-2-amine
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: C1=CC=C2C=C(C=CC2=C1)N
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Product OPENEYE NAME: naphthalene-2-thiol
CAS Name: 2-naphthalenethiol
IUPAC NAME: naphthalene-2-thiol
SYSTEMATIC NAME: naphthalene-2-thiol
MOLECULAR FORMULA: C10H8S
MOLECULAR WEIGHT: 160.23552
SMILES: C1=CC=C2C=C(C=CC2=C1)S
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Product OPENEYE NAME: 6-methylquinoline
CAS Name: 6-methylquinoline
IUPAC NAME: 6-methylquinoline
SYSTEMATIC NAME: 6-methylquinoline
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: CC1=CC2=C(C=C1)N=CC=C2
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Product OPENEYE NAME: 2-methylquinoline
CAS Name: 2-methylquinoline
IUPAC NAME: 2-methylquinoline
SYSTEMATIC NAME: 2-methylquinoline
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: CC1=NC2=CC=CC=C2C=C1
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Product OPENEYE NAME: N,N-diethylaniline
CAS Name: N,N-diethylaniline
IUPAC NAME: N,N-diethylaniline
SYSTEMATIC NAME: N,N-diethylaniline
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: CCN(CC)C1=CC=CC=C1
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Product OPENEYE NAME: 3-(diethylamino)phenol
CAS Name: 3-(diethylamino)phenol
IUPAC NAME: 3-(diethylamino)phenol
SYSTEMATIC NAME: 3-(diethylamino)phenol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CCN(CC)C1=CC(=CC=C1)O
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Product OPENEYE NAME: 2-[(2-carboxyphenyl)sulfanyl-(4-ureidophenyl)arsanyl]sulfanylbenzoic acid
CAS Name: 2-[[[4-(carbamoylamino)phenyl]-[(2-carboxyphenyl)thio]arsino]thio]benzoic acid
IUPAC NAME: 2-[[4-(carbamoylamino)phenyl]-(2-carboxyphenyl)sulfanylarsanyl]sulfanylbenzoic acid
SYSTEMATIC NAME: 2-[[4-(aminocarbonylamino)phenyl]-(2-carboxyphenyl)sulfanyl-arsanyl]sulfanylbenzoic acid
MOLECULAR FORMULA: C21H17AsN2O5S2
MOLECULAR WEIGHT: 516.42168
SMILES: C1=CC=C(C(=C1)C(=O)O)S[As](C2=CC=C(C=C2)NC(=O)N)SC3=CC=CC=C3C(=O)O
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Product OPENEYE NAME: 6-phenyl-1,3,5-triazine-2,4-diamine
CAS Name: 6-phenyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-phenyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-phenyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H9N5
MOLECULAR WEIGHT: 187.20126
SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N
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Product OPENEYE NAME: 1,3,5-triphenyl-1,3,5-triazinane
CAS Name: 1,3,5-triphenyl-1,3,5-triazinane
IUPAC NAME: 1,3,5-triphenyl-1,3,5-triazinane
SYSTEMATIC NAME: 1,3,5-triphenyl-1,3,5-triazinane
MOLECULAR FORMULA: C21H21N3
MOLECULAR WEIGHT: 315.41154
SMILES: C1N(CN(CN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N,N-dimethyl-N'-(2-pyridyl)-N'-(3-thienylmethyl)ethane-1,2-diamine
CAS Name: N,N-dimethyl-N'-(2-pyridinyl)-N'-(3-thiophenylmethyl)ethane-1,2-diamine
IUPAC NAME: N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SYSTEMATIC NAME: N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C14H19N3S
MOLECULAR WEIGHT: 261.38576
SMILES: CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2
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