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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:47:14 UTC
Update Date2025-03-24 21:20:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01747649
Frequency0.7
Structure
Chemical FormulaC5H6N4
Molecular Mass122.0592
SMILESC1=NCc2[nH]cnc2N1
InChI KeyXUSAXYHYWVVLLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyrimidines
Subclass purines and purine derivatives
Direct Parent purines and purine derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • formamidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • formamidine
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • purine
  • organic nitrogen compound
  • imidolactam
  • azole