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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:37 UTC
Update Date2025-03-25 00:48:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168423
Frequency0.5
Structure
Chemical FormulaC17H22N6O2
Molecular Mass342.1804
SMILESCC(C)C(O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1
InChI KeyNJEVPWOCAGBSDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • phenylalkylamines
  • phenylpropanes
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • aromatic alcohol
  • ketimine
  • monocyclic benzene moiety
  • imine
  • pyrimidone
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • phenylpropane
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • secondary alcohol
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound