Thursday, June 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H17N3
MOLECULAR WEIGHT: 251.32628
SMILES: C1CC2=CC=CC=C2C3=C(C1)C4=NCCCN4C=N3
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21N3
MOLECULAR WEIGHT: 279.37944
SMILES: CC1(CN=C2C3=C(C4=CC=CC=C4CCC3)N=CN2C1)C
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H19N3O2
MOLECULAR WEIGHT: 297.35166
SMILES: CC(CC(=O)O)NC1=NC=NC2=C1CCCC3=CC=CC=C32
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MOLECULAR FORMULA: C16H15N3O
MOLECULAR WEIGHT: 265.3098
SMILES: C1CC2=CC=CC=C2C3=C(C1)C4=NCCC(=O)N4C=N3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H17N3O
MOLECULAR WEIGHT: 279.33638
SMILES: CC1CC(=O)N2C=NC3=C(C2=N1)CCCC4=CC=CC=C43
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17N3O3
MOLECULAR WEIGHT: 335.35658
SMILES: CCOC(=O)C1=CN=C2C3=C(C4=CC=CC=C4CCC3)N=CN2C1=O
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20N4O3
MOLECULAR WEIGHT: 352.3871
SMILES: CCO/C(=C/1\C(N=C2C3=C(C4=CC=CC=C4CCC3)N=CN2C1=O)N)/O
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MOLECULAR FORMULA: C20H22N4O3
MOLECULAR WEIGHT: 366.41368
SMILES: CCO/C(=C/1\C(N=C2C3=C(C4=CC=CC=C4CCC3)N=CN2C1=O)NC)/O
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Product OPENEYE NAME: 5,6-dihydrobenzo[h]quinazoline-4-carbonitrile
CAS Name: 5,6-dihydrobenzo[h]quinazoline-4-carbonitrile
IUPAC NAME: 5,6-dihydrobenzo[h]quinazoline-4-carbonitrile
SYSTEMATIC NAME: 5,6-dihydrobenzo[h]quinazoline-4-carbonitrile
MOLECULAR FORMULA: C13H9N3
MOLECULAR WEIGHT: 207.23066
SMILES: C1CC2=C(N=CN=C2C3=CC=CC=C31)C#N
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Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H11N3
MOLECULAR WEIGHT: 221.25724
SMILES: C1CC2=CC=CC=C2C3=NC=NC(=C3C1)C#N
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Product OPENEYE NAME: 5,6-dihydrobenzo[h]quinazoline-4-carboxamide
CAS Name: 5,6-dihydrobenzo[h]quinazoline-4-carboxamide
IUPAC NAME: 5,6-dihydrobenzo[h]quinazoline-4-carboxamide
SYSTEMATIC NAME: 5,6-dihydrobenzo[h]quinazoline-4-carboxamide
MOLECULAR FORMULA: C13H11N3O
MOLECULAR WEIGHT: 225.24594
SMILES: C1CC2=C(C3=CC=CC=C31)N=CN=C2C(=O)N
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H13N3O
MOLECULAR WEIGHT: 239.27252
SMILES: C1CC2=CC=CC=C2C3=C(C1)C(=NC=N3)C(=O)N
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Product OPENEYE NAME: 5,6-dihydrobenzo[h]quinazoline-4-carboxylic acid
CAS Name: 5,6-dihydrobenzo[h]quinazoline-4-carboxylic acid
IUPAC NAME: 5,6-dihydrobenzo[h]quinazoline-4-carboxylic acid
SYSTEMATIC NAME: 5,6-dihydrobenzo[h]quinazoline-4-carboxylic acid
MOLECULAR FORMULA: C13H10N2O2
MOLECULAR WEIGHT: 226.2307
SMILES: C1CC2=C(C3=CC=CC=C31)N=CN=C2C(=O)O
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1CC2=CC=CC=C2C3=C(C1)C(=NC=N3)C(=O)O
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Product OPENEYE NAME: N-methyl-5,6-dihydrobenzo[h]quinazoline-4-carboxamide
CAS Name: N-methyl-5,6-dihydrobenzo[h]quinazoline-4-carboxamide
IUPAC NAME: N-methyl-5,6-dihydrobenzo[h]quinazoline-4-carboxamide
SYSTEMATIC NAME: N-methyl-5,6-dihydrobenzo[h]quinazoline-4-carboxamide
MOLECULAR FORMULA: C14H13N3O
MOLECULAR WEIGHT: 239.27252
SMILES: CNC(=O)C1=NC=NC2=C1CCC3=CC=CC=C32
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