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Home> Hot Product Listed F   > F5017-1069
35877-37-3 structure

F5017-1069

Iupac Name:1-benzyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CAS No.:35877-37-3
Molecular Weight:226.239
Molecular Formula:C18H23N3O4 (isomer)
Names and Identifiers
Synonyms

2-chloro-n-((1-((2,5-dimethylfuran-3-yl)methyl)piperidin-4-yl)methyl)benzenesulfonamide AKOS024490271 CHEMBL3439466 MCULE-7583264135 MOLPORT-019-828-925 VU0629790-1 ZINC43954180

Inchi
InChI=1S/C12H10N4O/c17-12-10-6-15-16(11(10)13-8-14-12)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2
InChkey
FIGPHRHREHSCRO-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CN2C3=NC=NC(=O)C3=CN2
Properties
Refractive Index
1.719
Computational chemical data
  • Molecular Weight:226.239g/mol
  • Molecular Formula:C18H23N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:226.085
  • Monoisotopic Mass:226.085
  • Complexity:418
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:17
  • 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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