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Also known as: 890655-80-8, Azd3241, Azd 3241, Azd-3241, Verdiperstat [usan], Bhv-3241

Molecular Formula

C₁₁H₁₅N₃O₂S

Molecular Weight

253.32 g/mol

InChI Key

FVJCUZCRPIMVLB-UHFFFAOYSA-N

FDA UNII

TT3345YXVR

Verdiperstat has been used in trials studying the basic science and treatment of Multiple System Atrophy (MSA).

1 2D Structure

Verdiperstat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one

2.1.2 InChI

InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)

2.1.3 InChI Key

FVJCUZCRPIMVLB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)OCCN1C2=C(C(=O)NC1=S)NC=C2

2.2 Other Identifiers

2.2.1 UNII

TT3345YXVR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(2-(propan-2-yloxy)ethyl)-2-thioxo-1,2,3,5-tetrahydro-4h-pyrrolo(3,2-d)pyrimidin-4-one

2. Azd3241

2.3.2 Depositor-Supplied Synonyms

1. 890655-80-8

2. Azd3241

3. Azd 3241

4. Azd-3241

5. Verdiperstat [usan]

6. Bhv-3241

7. Bhv-3421

8. Tt3345yxvr

9. 1-(2-isopropoxyethyl)-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one

10. 1-(2-isopropoxyethyl)-2-thioxo-1,2,3,5-tetrahydropyrrolo(3,2-d)pyrimidin-4-one

11. 1-[2-(propan-2-yloxy)ethyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one

12. 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one

13. Verdiperstat (usan/inn)

14. Verdiperstat [inn]

15. Unii-tt3345yxvr

16. Verdiperstat (azd3241)

17. Verdiperstat [who-dd]

18. Schembl1536607

19. Chembl4297594

20. Schembl23225670

21. Gtpl10052

22. Azd 3241 [who-dd]

23. Bcp30847

24. Ex-a3205

25. Azd3241;bhv-3241

26. Bdbm50503707

27. Who 10251

28. Akos037649278

29. Db12440

30. Bs-17783

31. Hy-17646

32. Cs-0016916

33. D11684

34. N16816

35. Azd-3241; Azd 3241; Azd3241

36. Q27290286

37. 1-(2-isopropoxyethyl)-2-thioxo-1,2,3,5-tetrahydro-pyrrolo(3,2-d) Pyrimidin-4-one

38. 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5h-pyrrolo[2,3-e]pyrimidin-4-one

39. 1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5h-pyrrolo[3,2-d]pyrimidin-4-one

40. W4y

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅N₃O₂S
Molecular Weight	253.32 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	253.08849790 g/mol
Monoisotopic Mass	253.08849790 g/mol
Topological Polar Surface Area	89.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	322
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