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    CAS 26661-13-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 26661-13-2, N-(2-oxo-1,2-dihydropyrimidin-4-yl)benzamide, N-benzoylcytosine, N-(2-oxo-1h-pyrimidin-6-yl)benzamide, N-4-benzoyl cytosine, Benzamide, n-(1,2-dihydro-2-oxo-4-pyrimidinyl)-
    Molecular Formula
    C11H9N3O2
    Molecular Weight
    215.21  g/mol
    InChI Key
    XBDUZBHKKUFFRH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(2-oxo-1H-pyrimidin-6-yl)benzamide
    2.1.2 InChI
    InChI=1S/C11H9N3O2/c15-10(8-4-2-1-3-5-8)13-9-6-7-12-11(16)14-9/h1-7H,(H2,12,13,14,15,16)
    2.1.3 InChI Key
    XBDUZBHKKUFFRH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(=O)NC2=CC=NC(=O)N2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 26661-13-2

    2. N-(2-oxo-1,2-dihydropyrimidin-4-yl)benzamide

    3. N-benzoylcytosine

    4. N-(2-oxo-1h-pyrimidin-6-yl)benzamide

    5. N-4-benzoyl Cytosine

    6. Benzamide, N-(1,2-dihydro-2-oxo-4-pyrimidinyl)-

    7. Mfcd00239434

    8. N-(2-hydroxy-pyrimidin-4-yl)-benzamide

    9. N-(2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide

    10. N-benzoyl Cytosine

    11. 4-n-benzoylcytosine

    12. N4 -benzoylcytosine

    13. N4-benzoyl Cytosine

    14. Nsc211617

    15. N4-(benzoyl)cytosine

    16. N4 -(benzoyl)cytosine

    17. N4-benzoylcytosine, 98%

    18. Oprea1_638286

    19. Schembl210467

    20. 2-hydroxy-4-benzamidopyrimidine

    21. Chembl1222779

    22. Schembl18549055

    23. Schembl19073177

    24. Ammd00026

    25. Dtxsid00309282

    26. Zinc140365

    27. Act01666

    28. Bcp12250

    29. Akos015839060

    30. Akos015888110

    31. Am85688

    32. As-2052

    33. Ccg-308745

    34. Cs-w020564

    35. Nsc 211617

    36. Nsc-211617

    37. Sb17530

    38. Ac-29262

    39. Sy036434

    40. Db-008649

    41. B3169

    42. Ft-0638627

    43. F14842

    44. N-(2,3-dihydro-2-oxo-4-pyrimidinyl)benzamide

    45. N-(2-oxo-2,3-dihydropyrimidin-4-yl)benzamide

    46. P15522

    47. A818547

    48. N-(2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide #

    49. Sr-01000463612

    50. Sr-01000463612-1

    51. W-202133

    52. F0914-5981

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 215.21 g/mol
    Molecular Formula C11H9N3O2
    XLogP30.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass215.069476538 g/mol
    Monoisotopic Mass215.069476538 g/mol
    Topological Polar Surface Area70.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity354
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1