DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:55 UTC
Update Date	2025-03-25 00:53:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198744
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₁N₅O₂
Molecular Mass	281.0913
SMILES	NC(=O)c1cnc2nc(N)[nH]c(=O)c2c1-c1ccccc1
InChI Key	IIZJACKZBOIDGY-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 amino acids and derivatives azacyclic compounds benzene and substituted derivatives carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives lactams organic oxides organooxygen compounds organopnictogen compounds polyhalopyridines primary amines primary carboxylic acid amides pyridinecarboxylic acids and derivatives pyrimidones
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives monocyclic benzene moiety lactam amino acid or derivatives polyhalopyridine pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine azacycle heteroaromatic compound carboxamide group pyridine organic oxygen compound pyrido[2,3-d]pyrimidine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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