Sunday, April 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-(4-pyridyl)-1,2,4-oxadiazole
CAS Name: 3-pyridin-4-yl-1,2,4-oxadiazole
IUPAC NAME: 3-pyridin-4-yl-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-pyridin-4-yl-1,2,4-oxadiazole
MOLECULAR FORMULA: C7H5N3O
MOLECULAR WEIGHT: 147.1341
SMILES: C1=CN=CC=C1C2=NOC=N2
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Product OPENEYE NAME: 7-fluorospiro[2H-naphthalene-1,5'-imidazolidine]-2',4'-dione
CAS Name: 7-fluorospiro[2H-naphthalene-1,5'-imidazolidine]-2',4'-dione
IUPAC NAME: 7-fluorospiro[2H-naphthalene-1,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: 7-fluoranylspiro[2H-naphthalene-1,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C12H9FN2O2
MOLECULAR WEIGHT: 232.210463
SMILES: C1C=CC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)F
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Product OPENEYE NAME: 6'-fluorospiro[imidazolidine-5,4'-tetralin]-2,2',4-trione
CAS Name: 6-fluorospiro[1,3-dihydronaphthalene-4,5'-imidazolidine]-2,2',4'-trione
IUPAC NAME: 6-fluorospiro[1,3-dihydronaphthalene-4,5'-imidazolidine]-2,2',4'-trione
SYSTEMATIC NAME: 6-fluoranylspiro[1,3-dihydronaphthalene-4,5'-imidazolidine]-2,2',4'-trione
MOLECULAR FORMULA: C12H9FN2O3
MOLECULAR WEIGHT: 248.209863
SMILES: C1C(=O)CC2(C3=C1C=CC(=C3)F)C(=O)NC(=O)N2
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Product OPENEYE NAME: spiro[chromane-4,5'-imidazolidine]-2,2',4'-trione
CAS Name: spiro[3,4-dihydro-2H-1-benzopyran-4,5'-imidazolidine]-2,2',4'-trione
IUPAC NAME: spiro[3H-chromene-4,5'-imidazolidine]-2,2',4'-trione
SYSTEMATIC NAME: spiro[3H-chromene-4,5'-imidazolidine]-2,2',4'-trione
MOLECULAR FORMULA: C11H8N2O4
MOLECULAR WEIGHT: 232.19222
SMILES: C1C(=O)OC2=CC=CC=C2C13C(=O)NC(=O)N3
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Product OPENEYE NAME: 6-fluorospiro[chromane-4,5'-imidazolidine]-2,2',4'-trione
CAS Name: 6-fluorospiro[3,4-dihydro-2H-1-benzopyran-4,5'-imidazolidine]-2,2',4'-trione
IUPAC NAME: 6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2,2',4'-trione
SYSTEMATIC NAME: 6-fluoranylspiro[3H-chromene-4,5'-imidazolidine]-2,2',4'-trione
MOLECULAR FORMULA: C11H7FN2O4
MOLECULAR WEIGHT: 250.182683
SMILES: C1C(=O)OC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)F
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Product OPENEYE NAME: 6-chlorospiro[chromane-4,5'-imidazolidine]-2,2',4'-trione
CAS Name: 6-chlorospiro[3,4-dihydro-2H-1-benzopyran-4,5'-imidazolidine]-2,2',4'-trione
IUPAC NAME: 6-chlorospiro[3H-chromene-4,5'-imidazolidine]-2,2',4'-trione
SYSTEMATIC NAME: 6-chloranylspiro[3H-chromene-4,5'-imidazolidine]-2,2',4'-trione
MOLECULAR FORMULA: C11H7ClN2O4
MOLECULAR WEIGHT: 266.63728
SMILES: C1C(=O)OC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)Cl
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Product OPENEYE NAME: spiro[1,3-dihydroquinoline-4,5'-imidazolidine]-2,2',4'-trione
CAS Name: spiro[1,3-dihydroquinoline-4,5'-imidazolidine]-2,2',4'-trione
IUPAC NAME: spiro[1,3-dihydroquinoline-4,5'-imidazolidine]-2,2',4'-trione
SYSTEMATIC NAME: spiro[1,3-dihydroquinoline-4,5'-imidazolidine]-2,2',4'-trione
MOLECULAR FORMULA: C11H9N3O3
MOLECULAR WEIGHT: 231.20746
SMILES: C1C(=O)NC2=CC=CC=C2C13C(=O)NC(=O)N3
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Product OPENEYE NAME: 6-chlorospiro[1,3-dihydroquinoline-4,5'-imidazolidine]-2,2',4'-trione
CAS Name: 6-chlorospiro[1,3-dihydroquinoline-4,5'-imidazolidine]-2,2',4'-trione
IUPAC NAME: 6-chlorospiro[1,3-dihydroquinoline-4,5'-imidazolidine]-2,2',4'-trione
SYSTEMATIC NAME: 6-chloranylspiro[1,3-dihydroquinoline-4,5'-imidazolidine]-2,2',4'-trione
MOLECULAR FORMULA: C11H8ClN3O3
MOLECULAR WEIGHT: 265.65252
SMILES: C1C(=O)NC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)Cl
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Product OPENEYE NAME: spiro[imidazolidine-5,4'-tetralin]-2,2',4-trione
CAS Name: spiro[1,3-dihydronaphthalene-4,5'-imidazolidine]-2,2',4'-trione
IUPAC NAME: spiro[1,3-dihydronaphthalene-4,5'-imidazolidine]-2,2',4'-trione
SYSTEMATIC NAME: spiro[1,3-dihydronaphthalene-4,5'-imidazolidine]-2,2',4'-trione
MOLECULAR FORMULA: C12H10N2O3
MOLECULAR WEIGHT: 230.2194
SMILES: C1C(=O)CC2(C3=CC=CC=C31)C(=O)NC(=O)N2
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Product OPENEYE NAME: (E)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide
IUPAC NAME: (E)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]-N-(phenylmethyl)prop-2-enamide
MOLECULAR FORMULA: C16H15NO3
MOLECULAR WEIGHT: 269.2952
SMILES: C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)O)O
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Product OPENEYE NAME: (E)-7-[4-oxo-5-[(E)-3-tetrahydropyran-2-yloxyoct-1-enyl]cyclopent-2-en-1-yl]hept-5-enoic acid
CAS Name: (E)-7-[5-[(E)-3-(2-oxanyloxy)oct-1-enyl]-4-oxo-1-cyclopent-2-enyl]-5-heptenoic acid
IUPAC NAME: (E)-7-[5-[(E)-3-(oxan-2-yloxy)oct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[5-[(E)-3-(oxan-2-yloxy)oct-1-enyl]-4-oxidanylidene-cyclopent-2-en-1-yl]hept-5-enoic acid
MOLECULAR FORMULA: C25H38O5
MOLECULAR WEIGHT: 418.56622
SMILES: CCCCCC(/C=C/C1C(C=CC1=O)C/C=C/CCCC(=O)O)OC2CCCCO2
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Product OPENEYE NAME: 1-amino-2-(guanidinomethyl)cyclopropanecarboxylic acid
CAS Name: 1-amino-2-[(diaminomethylideneamino)methyl]-1-cyclopropanecarboxylic acid
IUPAC NAME: 1-amino-2-[(diaminomethylideneamino)methyl]cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 1-azanyl-2-[[bis(azanyl)methylideneamino]methyl]cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C6H12N4O2
MOLECULAR WEIGHT: 172.18508
SMILES: C1C(C1(C(=O)O)N)CN=C(N)N
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Product OPENEYE NAME: O3-(cyclopropylmethyl) O5-ethyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate
CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-(cyclopropylmethyl) ester O5-ethyl ester
IUPAC NAME: 3-O-(cyclopropylmethyl) 5-O-ethyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-(cyclopropylmethyl) O5-ethyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate
MOLECULAR FORMULA: C20H23N3O6
MOLECULAR WEIGHT: 401.41312
SMILES: CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3CC3)C)C
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Product OPENEYE NAME: ethyl 2,6-dimethyl-4-(2-nitrophenyl)-3-propanoyl-4H-pyrimidine-5-carboxylate
CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-3-(1-oxopropyl)-4H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2,6-dimethyl-4-(2-nitrophenyl)-3-propanoyl-4H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 2,6-dimethyl-4-(2-nitrophenyl)-3-propanoyl-4H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C18H21N3O5
MOLECULAR WEIGHT: 359.37644
SMILES: CCC(=O)N1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 3-acetyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-5-carboxylate
CAS Name: 3-acetyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-acetyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 3-ethanoyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C17H19N3O5
MOLECULAR WEIGHT: 345.34986
SMILES: CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)C)C)C
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Product OPENEYE NAME: (E)-6-(3,4-dibenzyloxyphenyl)hex-5-enoic acid
CAS Name: (E)-6-[3,4-bis(phenylmethoxy)phenyl]-5-hexenoic acid
IUPAC NAME: (E)-6-[3,4-bis(phenylmethoxy)phenyl]hex-5-enoic acid
SYSTEMATIC NAME: (E)-6-[3,4-bis(phenylmethoxy)phenyl]hex-5-enoic acid
MOLECULAR FORMULA: C26H26O4
MOLECULAR WEIGHT: 402.48224
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/CCCC(=O)O)OCC3=CC=CC=C3
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Product OPENEYE NAME: 6-(3,4-dibenzyloxyphenyl)hexan-1-ol
CAS Name: 6-[3,4-bis(phenylmethoxy)phenyl]-1-hexanol
IUPAC NAME: 6-[3,4-bis(phenylmethoxy)phenyl]hexan-1-ol
SYSTEMATIC NAME: 6-[3,4-bis(phenylmethoxy)phenyl]hexan-1-ol
MOLECULAR FORMULA: C26H30O3
MOLECULAR WEIGHT: 390.5146
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCCCCCO)OCC3=CC=CC=C3
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