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2D Structure
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

2D Structure

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