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    CAS 3056-33-5

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    CAS 3056-33-5
    Also known as: 3056-33-5, N,9-diacetylguanine, N(2),9-diacetylguanine, 2,9-diacetylguanine, N-(9-acetyl-6-oxo-6,9-dihydro-1h-purin-2-yl)acetamide, 2,9-diacetateguanine
    Molecular Formula
    C9H9N5O3
    Molecular Weight
    235.20  g/mol
    InChI Key
    GILZZWCROUGLIS-UHFFFAOYSA-N
    FDA UNII
    VUW2B9YR95
    1 2D Structure

    CAS 3056-33-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide
    2.1.2 InChI
    InChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17)
    2.1.3 InChI Key
    GILZZWCROUGLIS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=NC2=C(C(=O)N1)N=CN2C(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    VUW2B9YR95
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3056-33-5

    2. N,9-diacetylguanine

    3. N(2),9-diacetylguanine

    4. 2,9-diacetylguanine

    5. N-(9-acetyl-6-oxo-6,9-dihydro-1h-purin-2-yl)acetamide

    6. 2,9-diacetateguanine

    7. N-(9-acetyl-6-oxo-3h-purin-2-yl)acetamide

    8. Acetamide, N-(9-acetyl-6,9-dihydro-6-oxo-1h-purin-2-yl)-

    9. Acyclovir (aciclovir) Ep Impurity L

    10. Mfcd00142116

    11. Vuw2b9yr95

    12. N-(9-acetyl-6,9-dihydro-6-oxo-1h-purin-2-yl)acetamide

    13. C9h9n5o3

    14. Einecs 221-287-0

    15. Unii-vuw2b9yr95

    16. N2,n9-diacetylguanine

    17. N 2,9-diacetylguanine

    18. Mls006010915

    19. Schembl2054820

    20. Schembl9412712

    21. Guanine, N,9-diacetyl-

    22. Amy3402

    23. Dtxsid10184648

    24. Gilzzwcrouglis-uhfffaoysa-n

    25. 2-acetamido-9-acetyl-6-oxopurine

    26. Ac2487

    27. Aciclovir Impurity L [who-ip]

    28. Akos015837727

    29. Akos015963270

    30. Akos024283085

    31. Ac-8418

    32. Diacetyl Guanine [usp Impurity]

    33. As-12396

    34. Smr004701785

    35. Sy036313

    36. (n2,9-diacetylguanine) [who-ip]

    37. Aciclovir Impurity L [ep Impurity]

    38. 2-acetylamino-6-oxo-9-acetylpurine

    39. Cs-0018196

    40. D3604

    41. Ft-0629336

    42. A820436

    43. N-(9-acetyl-6-oxo-1h-purin-2-yl)acetamide

    44. W-106935

    45. Q27292029

    46. N-(1-acetyl-4-oxo-5h-imidazo[4,5-c]pyridin-6-yl)acetamide;n(2),9-diacetylguanine

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 235.20 g/mol
    Molecular Formula C9H9N5O3
    XLogP3-1.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area105
    Heavy Atom Count17
    Formal Charge0
    Complexity419
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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