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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:58 UTC
Update Date2025-03-25 00:53:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201216
Frequency0.5
Structure
Chemical FormulaC12H11N5O2
Molecular Mass257.0913
SMILESCOc1ccc(-c2nc3[nH]c(=O)[nH]c3nc2N)cc1
InChI KeyBJWOIKVSAUQPAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyrazines
Subclass imidazopyrazines
Direct Parent imidazopyrazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • methoxybenzenes
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • primary amines
  • pyrazines
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • imidazopyrazine
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • azole
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrazine
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound