Thursday, March 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H22N6O2
MOLECULAR WEIGHT: 450.49188
SMILES: C1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NCC4=CN=CC=C4)C(=O)N5C=CC=CC5=N3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H24N6O2
MOLECULAR WEIGHT: 464.51846
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H27N5O2
MOLECULAR WEIGHT: 441.52488
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NC5CCCC5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H14N4O4
MOLECULAR WEIGHT: 350.32816
SMILES: COC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CC=CO4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H16N4O4
MOLECULAR WEIGHT: 364.35474
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H16N4O4
MOLECULAR WEIGHT: 364.35474
SMILES: CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CC=CO4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18N4O4
MOLECULAR WEIGHT: 378.38132
SMILES: CCOC(=O)C1=CC2=C(N=C3C=CC(=CN3C2=O)C)N(C1=N)CC4=CC=CO4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17N5O3
MOLECULAR WEIGHT: 363.36998
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)NC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17N5O3
MOLECULAR WEIGHT: 363.36998
SMILES: CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CC=CO4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H19N5O3
MOLECULAR WEIGHT: 377.39656
SMILES: CCNC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC4=CC=CO4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H19N5O3
MOLECULAR WEIGHT: 377.39656
SMILES: CCNC(=O)C1=CC2=C(N=C3C=CC(=CN3C2=O)C)N(C1=N)CC4=CC=CO4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H17N5O4
MOLECULAR WEIGHT: 415.40148
SMILES: C1=CC2=NC3=C(C=C(C(=N)N3CC4=CC=CO4)C(=O)NCC5=CC=CO5)C(=O)N2C=C1
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H19N5O4
MOLECULAR WEIGHT: 429.42806
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)C(=O)NCC5=CC=CO5
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