DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:21 UTC
Update Date	2025-03-25 00:53:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199786
Frequency	0.5
Structure
Chemical Formula	C₉H₈N₆O₂
Molecular Mass	232.0709
SMILES	Cn1c(=O)[nH]c2[nH]c3ncnc(N)c3c(=O)c21
InChI Key	QJWMJQMBSOTZGJ-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 heteroaromatic compounds hydrocarbon derivatives imidazoles imidazopyridines imidolactams methylpyridines n-substituted imidazoles organic carbonic acids and derivatives organic oxides organooxygen compounds organopnictogen compounds polyhalopyridines primary amines pyrimidines and pyrimidine derivatives vinylogous amides
Substituents	polyhalopyridine imidazopyridine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound 2-halopyridine imidolactam azole n-substituted imidazole vinylogous amide carbonic acid derivative azacycle heteroaromatic compound methylpyridine pyridine organic oxygen compound pyrido[2,3-d]pyrimidine hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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