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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,1-(2-deoxy-b-D-threo-pentofuranosyl)-5-methyl-
956611-91-9 structure

2,4(1H,3H)-Pyrimidinedione,1-(2-deoxy-b-D-threo-pentofuranosyl)-5-methyl-

Iupac Name:N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2,6-difluoro-N-(4-methoxyphenyl)benzamide
CAS No.:956611-91-9
EINECS(EC#): 262-475-2
Molecular Weight:459.801
Molecular Formula:C15H23N3OS (isomer)
Names and Identifiers
Synonyms

1-((2R,4R,5R)-4-hydroxy-5-(hydroxyMethyl)tetrahydrofuran-2-yl)-5-MethylpyriMidine-2,4(1H,3H)-dione 1-(2'-Deoxy-b-D-threo-pentofuranosyl)thymine 1-(2-Deoxy-beta-D-xylofuranosyl)-5-methyluracil 1-(2'-deoxy-beta-threopentofuranosyl)thymine 1-(2-Deoxy--D-xylofuranosyl)-5-methyluracil 1-(2'-DEOXY-SS-THREOPENTOFURANOSYL)THYMINE NSC 526738 Thymine,1-(2-deoxy-b-D-threo-pentofuranosyl)-(7CI,8CI) Zidovudine impurity M

Inchi
InChI=1S/C20H15ClF5N3O2/c1-28-18(21)13(17(27-28)20(24,25)26)10-29(11-6-8-12(31-2)9-7-11)19(30)16-14(22)4-3-5-15(16)23/h3-9H,10H2,1-2H3
InChkey
UNILZABWPGLONE-UHFFFAOYSA-N
Canonical Smiles
CN1C(=C(C(=N1)C(F)(F)F)CN(C2=CC=C(C=C2)OC)C(=O)C3=C(C=CC=C3F)F)Cl
Properties
Density
0.926
Boiling Point
305.3°C at 760 mmHg
Flash Point
112.6°C
Computational chemical data
  • Molecular Weight:459.801g/mol
  • Molecular Formula:C15H23N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:459.077
  • Monoisotopic Mass:459.077
  • Complexity:610
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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