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    CAS 224789-21-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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