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Home> Hot Product Listed F   > F5257-0274
1206999-15-6 structure

F5257-0274

CAS No.:1206999-15-6
Molecular Weight:351.424
Molecular Formula:C10H11CLFNO (isomer)
Names and Identifiers
Synonyms

7-(furan-2-ylmethyl)-n-(2-hydroxypropyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1h-pyrrolo[2,3-d]pyrimidine-6-carboxamide AKOS024503603 MCULE-6499559492 MOLPORT-009-728-332 VU0639431-1

Inchi
InChI=1S/C19H17N3O2S/c23-17-7-3-5-15-13-8-12(10-22(15)17)9-21(11-13)19(24)18-20-14-4-1-2-6-16(14)25-18/h1-7,12-13H,8-11H2
InChkey
WWUXQVJRZMPKAH-UHFFFAOYSA-N
Canonical Smiles
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)C4=NC5=CC=CC=C5S4
Computational chemical data
  • Molecular Weight:351.424g/mol
  • Molecular Formula:C10H11CLFNO
  • Compound Is Canonicalized:True
  • Exact Mass:351.104
  • Monoisotopic Mass:351.104
  • Complexity:661
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:81.8A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8WIEAAAAWAFiB8AAAHgQAAAAADQjB1gQwwbMIEAis ASVyVACD8KBjCjhImDy4ZNgIYKLg0bGUIAhghgDoyYcQAAAMAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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