DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:14 UTC
Update Date	2025-03-25 00:55:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213504
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₂N₄O₂
Molecular Mass	220.096
SMILES	CNc1nc(=O)c2c(C)c(C)c(=O)[nH]c2[nH]1
InChI Key	VGHPUIHQXBPZSA-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 lactams methylpyridines organic oxides organooxygen compounds organopnictogen compounds polyhalopyridines pyridinones pyrimidones secondary alkylarylamines vinylogous amides
Substituents	lactam polyhalopyridine pyrimidone pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine vinylogous amide azacycle heteroaromatic compound methylpyridine secondary amine secondary aliphatic/aromatic amine pyridine organic oxygen compound pyrido[2,3-d]pyrimidine hydrocarbon derivative organic nitrogen compound pyridinone organooxygen compound amine

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