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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:47 UTC
Update Date2025-03-25 01:02:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253408
Frequency0.5
Structure
Chemical FormulaC13H12N6
Molecular Mass252.1123
SMILESNc1ncnc2c(NCc3ccccc3)ncnc12
InChI KeyOUPCSORGUXILIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
    • Substituents
  • monocyclic benzene moiety
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • aromatic heteropolycyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • imidolactam
  • organoheterocyclic compound