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  • [Synonyms]
    NSC133683
    AIDS126943
    AIDS-126943
    NSC 133683
    2-Methyl[1,3]oxazolo[5,4-d]pyrimidin-7-ol
    2-Methyl(1,3)oxazolo(5,4-d)pyrimidin-7-ol
    27433-55-2

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight151.1228 [g/mol]
    Molecular FormulaC6H5N3O2
    XLogP-0.7
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count0
    Tautomer Count3
    Exact Mass151.038176
    MonoIsotopic Mass151.038176
    Topological Polar Surface Area67.5
    Heavy Atom Count11
    Formal Charge0
    Complexity216
    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: 2-methyl-6H-[1,3]oxazolo[4,5-e]pyrimidin-7-one
    Canonical SMILES: CC1=NC2=C(O1)N=CNC2=O
    InChI: InChI=1/C6H5N3O2/c1-3-9-4-5(10)7-2-8-6(4)11-3/h2H,1H3,(H,7,8,10)/f/h7H



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