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  • BRN 0545565,LS-127759,3-(p-Chlorophenyl)-2-hydroxy-4H-pyrazino(1,2-a)p
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    BRN 0545565
    LS-127759
    3-(p-Chlorophenyl)-2-hydroxy-4H-pyrazino(1,2-a)pyrimidin-4-one
    4H-Pyrazino(1,2-a)pyrimidin-4-one, 3-(p-chlorophenyl)-2-hydroxy-
    21271-32-9

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight273.67452 [g/mol]
    Molecular FormulaC13H8ClN3O2
    XLogP2.3
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count1
    Tautomer Count2
    Exact Mass273.030504
    MonoIsotopic Mass273.030504
    Topological Polar Surface Area65.3
    Heavy Atom Count19
    Formal Charge0
    Complexity528
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-(4-chlorophenyl)-4-hydroxypyrimido[1,2-a]pyrazin-2-one
    Canonical SMILES: C1=CC(=CC=C1C2=C(N3C=CN=CC3=NC2=O)O)Cl
    InChI: InChI=1/C13H8ClN3O2/c14-9-3-1-8(2-4-9)11-12(18)16-10-7-15-5-6-17(10)13
    (11)19/h1-7,19H

    ChemDrug版权识别码:6158626862104654665
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