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Also known as: 224789-21-3, Desulfovardenafil, 2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(3h)-one, Vpw4an40pa, 2-(2-ethoxy-phenyl)-5-methyl-7-propyl-3h-imidazo[5,1-f][1,2,4]triazin-4-one, 2-(2-ethoxyphenyl)-5-methyl-7-propyl-3h-imidazol[5,1-f][1,2,4]-triazin-4-one
Molecular Formula
C17H20N4O2
Molecular Weight
312.37  g/mol
InChI Key
YRRWQMBIMZMVDB-UHFFFAOYSA-N
FDA UNII
VPW4AN40PA

CAS 224789-21-3
1 2D Structure

CAS 224789-21-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2-ethoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
2.1.2 InChI
InChI=1S/C17H20N4O2/c1-4-8-14-18-11(3)15-17(22)19-16(20-21(14)15)12-9-6-7-10-13(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22)
2.1.3 InChI Key
YRRWQMBIMZMVDB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC1=NC(=C2N1N=C(NC2=O)C3=CC=CC=C3OCC)C
2.2 Other Identifiers
2.2.1 UNII
VPW4AN40PA
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 224789-21-3

2. Desulfovardenafil

3. 2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(3h)-one

4. Vpw4an40pa

5. 2-(2-ethoxy-phenyl)-5-methyl-7-propyl-3h-imidazo[5,1-f][1,2,4]triazin-4-one

6. 2-(2-ethoxyphenyl)-5-methyl-7-propyl-3h-imidazol[5,1-f][1,2,4]-triazin-4-one

7. Chembl352722

8. 2-(2-ethoxyphenyl)-5-methyl-7-propyl-1h-imidazo[5,1-f][1,2,4]triazin-4-one

9. 2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1h)-one

10. Desulfovardenafil (2-(2-ethoxyphenyl)-5-methyl-7-propyl-3h-imidazo[5,1-f][1,2,4]triazin-4-one)

11. Unii-vpw4an40pa

12. Nondenafil

13. 2-(2-ethoxyphenyl)-5-methyl-7-propyl-3h-imidazo(5,1-f)(1,2,4)triazin-4-one

14. 2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo(5,1-f)(1,2,4)triazin-4(1h)-one

15. 2-(2-ethoxyphenyl)-5-methyl-7-propyl-3h-imidazo[5,1-f][1,2,4]triazin-4-one (desulfovardenafil)

16. Ec 607-089-0

17. Schembl5613

18. Schembl16823369

19. Dtxsid80433458

20. Bcp09608

21. Zinc4199922

22. Ac-408

23. Bdbm50111897

24. Mfcd09833131

25. Akos015838843

26. 2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo-(5,1-f)(1,2,4)triazin-4(3h)-one

27. As-11114

28. Cs-0152407

29. Ft-0668121

30. 789e213

31. A878530

32. W-201935

33. Q27291960

34. 2-(2-ethoxy)-phenyl-5-methyl-7-n-propyl-3h-imidazolo[5,1-f][1,2,4]triazine-4-one

35. 2-(2-ethoxy-phenyl)-3,5-dimethyl-7-propyl-3h-imidazo[5,1-f][1,2,4]triazin-4-one

36. 2-(2-ethoxyphenyl)-5-methyl-7-propyl-3h-imidazo-[5,1-f]-1,2,4-triazin-4-one

37. 2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo[1,5-f][1,2,4]triazin-4(3h)-one

38. 2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]-triazin-4(3h)-one

39. Imidazo(5,1-f)(1,2,4)triazin-4(1h)-one, 2-(2-ethoxyphenyl)-5-methyl-7-propyl-

40. Vardenafil Related Compound (2-(2-ethoxyphenyl)-5-methyl-7-propyl-3h-imidazo[5,1-f][1,2,4]triazin-4-one)

2.4 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 312.37 g/mol
Molecular Formula C17H20N4O2
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass312.15862589 g/mol
Monoisotopic Mass312.15862589 g/mol
Topological Polar Surface Area68.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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