DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:39 UTC
Update Date	2025-03-25 00:54:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207291
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₁N₅O
Molecular Mass	253.0964
SMILES	Nc1nc2ncc(-c3ccccc3)c(N)c2c(=O)[nH]1
InChI Key	CSDIIJLPPZGJED-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 lactams organic oxides organooxygen compounds organopnictogen compounds polyhalopyridines primary amines pyridines and derivatives pyrimidones vinylogous amides
Substituents	monocyclic benzene moiety lactam polyhalopyridine pyrimidone pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine vinylogous amide azacycle heteroaromatic compound pyridine pyrido[2,3-d]pyrimidine organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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