DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:48 UTC
Update Date	2025-03-25 00:47:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02159760
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₀N₄O
Molecular Mass	238.0855
SMILES	O=c1nc(Nc2ccccc2)[nH]c2ncccc12
InChI Key	KEHTYFAURZFTOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyridopyrimidines
Subclass	pyrido[2,3-d]pyrimidines
Direct Parent	pyrido[2,3-d]pyrimidines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives organic oxides organooxygen compounds organopnictogen compounds polyhalopyridines pyridines and derivatives pyrimidones secondary amines vinylogous amides
Substituents	vinylogous amide monocyclic benzene moiety azacycle polyhalopyridine heteroaromatic compound pyrimidone secondary amine pyrimidine organic oxide pyridine pyrido[2,3-d]pyrimidine organic oxygen compound aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound hydrocarbon derivative benzenoid 2-halopyridine organic nitrogen compound organooxygen compound amine

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