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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:49 UTC
Update Date2025-03-25 00:46:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155436
Frequency0.5
Structure
Chemical FormulaC11H15N7O2
Molecular Mass277.1287
SMILESCc1ncc(CNc2c(N)[nH]c(=O)n(C)c2=O)c(N)n1
InChI KeyXYVNOJGGGIRGHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonic acid derivative
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound