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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:14 UTC
Update Date2025-03-25 00:50:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183579
Frequency0.5
Structure
Chemical FormulaC8H12N2O
Molecular Mass152.095
SMILESO=C1NC=NC2CCCCC12
InChI KeyQWRXCVDKBDIURN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • diazanaphthalenes
  • hydrocarbon derivatives
  • hydropyrimidines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • 1,4,5,6-tetrahydropyrimidine
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • quinazoline
  • organooxygen compound