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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:00 UTC
Update Date2025-03-25 00:47:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164736
Frequency0.5
Structure
Chemical FormulaC9H15N5O
Molecular Mass209.1277
SMILESCC(O)C1CNc2c(N)ncnc2N1C
InChI KeyCNNBNGZBKGNAEP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent dialkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • alcohol
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • dialkylarylamine
  • imidolactam
  • organoheterocyclic compound
  • organooxygen compound