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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:08 UTC
Update Date2025-03-25 00:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176521
Frequency0.5
Structure
Chemical FormulaC22H28N4O4
Molecular Mass412.2111
SMILESCOc1cc2ncnc(Nc3ccc(OCC(O)CNC(C)C)cc3)c2cc1OC
InChI KeyNHVFFZPSFIJHNM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolinamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • phenoxy compounds
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • quinazolinamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine