CAS 3056-33-5

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BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 12 Related Intermediates

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2 End Use APIs
12 Related Intermediates

Chemistry

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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 Formula	C₉H₉N₅O₃
Molecular Weight	235.20 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	105
Heavy Atom Count	17
Formal Charge	0
Complexity	419
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1