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Overview of CAS 518048-02-7

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4CH-022591
PharmaCompass
4CH-022591
Also known as: 518048-02-7, Benzyl [1-[4-[[(4-fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]carbamate, Ak-43466, C24h25fn4o5, Benzyl (2-(4-((4-fluorobenzyl)carbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)carbamate, Ysqdmqrpjogqnv-uhfffaoysa-n
Molecular Formula
C24H25FN4O5
Molecular Weight
468.5  g/mol
InChI Key
YSQDMQRPJOGQNV-UHFFFAOYSA-N

1 2D Structure

4CH-022591

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]carbamate
2.1.2 InChI
InChI=1S/C24H25FN4O5/c1-24(2,28-23(33)34-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)29(22)3)20(31)26-13-15-9-11-17(25)12-10-15/h4-12,30H,13-14H2,1-3H3,(H,26,31)(H,28,33)
2.1.3 InChI Key
YSQDMQRPJOGQNV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)NCC2=CC=C(C=C2)F)NC(=O)OCC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 518048-02-7

2. Benzyl [1-[4-[[(4-fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]carbamate

3. Ak-43466

4. C24h25fn4o5

5. Benzyl (2-(4-((4-fluorobenzyl)carbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)carbamate

6. Ysqdmqrpjogqnv-uhfffaoysa-n

7. Schembl1150738

8. Ctk4j4886

9. Ks-00000ojs

10. Dtxsid80716298

11. Bcp09713

12. 7251ab

13. Anw-61411

14. Mfcd10698740

15. Zinc21299545

16. Akos015896656

17. Ds-2362

18. Rl03908

19. Aj-78278

20. An-27978

21. Benzyl 2-(4-(4-fluorobenzylcarbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-ylcarbamate

22. C160

23. Ab1008535

24. Ax8210955

25. Db-071418

26. Rt-011482

27. Tl8003425

28. 4ch-022591

29. Ft-0662779

30. St24046129

31. 048f027

32. I06-2337

33. J-519768

34. (1-[4-(4-fluoro-benzylcarbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl]-1-methyl-ethyl)-carbamic Acid Benzyl Ester

35. [1-[4-[[(4-fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]benzyl Carbamate

36. Benzyl [1-[4-[[(4-fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1

37. Benzyl [2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

38. Benzyl 1-(4-{[(4-fluorobenzyl)amino]carbonyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1-methylethylcarbamate

39. Benzyl N-[1-[(4e)-4-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-1-methyl-5,6-dioxo-pyrimidin-2-yl]-1-methyl-ethyl]carbamate

40. Benzyl N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

41. Carbamic Acid,[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]-, Phenylmethyl Ester

42. N-[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]-carbamic Acid Phenylmethyl Ester

43. N-[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl]-1-methylethyl]-carbamic Acid Benzyl Ester

2.3 Create Date
2011-12-26
3 Chemical and Physical Properties
Molecular Weight 468.5 g/mol
Molecular Formula C24H25FN4O5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass468.180898 g/mol
Monoisotopic Mass468.180898 g/mol
Topological Polar Surface Area120 A^2
Heavy Atom Count34
Formal Charge0
Complexity842
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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