Friday, June 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CN1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2COC1=NC4=CC=CC=C4
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Product OPENEYE NAME: N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C14H19N5O6
MOLECULAR WEIGHT: 353.33056
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: N-[7-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(6aR,8R,9R,9aS)-9-oxidanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C26H45N5O7Si2
MOLECULAR WEIGHT: 595.8358
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C)O
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Product OPENEYE NAME: N-[7-[(6aR,8R,9R,9aR)-2,2,4,4-tetraisopropyl-9-phenoxycarbothioyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(6aR,8R,9R,9aR)-9-[phenoxy(sulfanylidene)methoxy]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(6aR,8R,9R,9aR)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(6aR,8R,9R,9aR)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C33H49N5O8SSi2
MOLECULAR WEIGHT: 732.00686
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C)OC(=S)OC5=CC=CC=C5
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Product OPENEYE NAME: N-[7-[(6aR,8R,9aS)-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C26H45N5O6Si2
MOLECULAR WEIGHT: 579.8364
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@H]4[C@H](O3)CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C
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Product OPENEYE NAME: N-[7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C14H19N5O5
MOLECULAR WEIGHT: 337.33116
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O
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Product OPENEYE NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C35H37N5O7
MOLECULAR WEIGHT: 639.69758
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
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Product OPENEYE NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C44H54N7O8P
MOLECULAR WEIGHT: 839.915421
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N
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Product OPENEYE NAME: (4,5-dichloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
CAS Name: (4,5-dichloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
IUPAC NAME: (4,5-dichloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
SYSTEMATIC NAME: [4,5-bis(chloranyl)-1H-pyrrol-2-yl]-(2-hydroxyphenyl)methanone
MOLECULAR FORMULA: C11H7Cl2NO2
MOLECULAR WEIGHT: 256.08478
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(N2)Cl)Cl)O
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Product OPENEYE NAME: (2-hydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CAS Name: (2-hydroxyphenyl)-(1H-pyrrol-2-yl)methanone
IUPAC NAME: (2-hydroxyphenyl)-(1H-pyrrol-2-yl)methanone
SYSTEMATIC NAME: (2-hydroxyphenyl)-(1H-pyrrol-2-yl)methanone
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CN2)O
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Product OPENEYE NAME: (2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
CAS Name: (2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
IUPAC NAME: (2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
SYSTEMATIC NAME: (2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: COC1=CC=CC=C1C(=O)C2=CC=CN2
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Product OPENEYE NAME: (4,5-dibromo-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
CAS Name: (4,5-dibromo-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
IUPAC NAME: (4,5-dibromo-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
SYSTEMATIC NAME: [4,5-bis(bromanyl)-1H-pyrrol-2-yl]-(2-hydroxyphenyl)methanone
MOLECULAR FORMULA: C11H7Br2NO2
MOLECULAR WEIGHT: 344.98678
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(N2)Br)Br)O
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Product OPENEYE NAME: (5-chloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
CAS Name: (5-chloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
IUPAC NAME: (5-chloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
SYSTEMATIC NAME: (5-chloranyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
MOLECULAR FORMULA: C11H8ClNO2
MOLECULAR WEIGHT: 221.63972
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(N2)Cl)O
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Product OPENEYE NAME: 2-methyl-4-oxo-1-propyl-pyridin-3-olate
CAS Name: 2-methyl-4-oxo-1-propyl-3-pyridinolate
IUPAC NAME: 2-methyl-4-oxo-1-propylpyridin-3-olate
SYSTEMATIC NAME: 2-methyl-4-oxidanylidene-1-propyl-pyridin-3-olate
MOLECULAR FORMULA: C9H12NO2-
MOLECULAR WEIGHT: 166.19708
SMILES: CCCN1C=CC(=O)C(=C1C)[O-]
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