CAS 224789-21-3

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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

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 Formula	C₁₇H₂₀N₄O₂
Molecular Weight	312.37 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	312.15862589 g/mol
Monoisotopic Mass	312.15862589 g/mol
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	468
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