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Home> Hot Product Listed T   > Thymidine-3'-13C (9CI)
606132-30-3 structure

Thymidine-3'-13C (9CI)

Iupac Name:2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-propylacetamide
CAS No.:606132-30-3
Molecular Weight:351.468
Molecular Formula:C17H20N4OS (isomer)
Names and Identifiers
Synonyms

[3'-13c]thymidine QFDWQMZAAKFSTL-PTQBSOBMSA-N Thymidine-3'-13C

Inchi
InChI=1S/C20H21N3OS/c1-3-12-21-18(24)13-25-20-16-6-4-5-7-17(16)22-19(23-20)15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChkey
DZQPVYBTVIZKIN-UHFFFAOYSA-N
Canonical Smiles
CCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C
Properties
Density
1.0017
Flash Point
169 °F
Computational chemical data
  • Molecular Weight:351.468g/mol
  • Molecular Formula:C17H20N4OS
  • Compound Is Canonicalized:True
  • XLogP3-AA:5
  • Exact Mass:351.141
  • Monoisotopic Mass:351.141
  • Complexity:425
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:25
  • 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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