DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:05 UTC
Update Date	2025-03-25 00:53:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201450
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₁N₃O₄
Molecular Mass	237.075
SMILES	COc1cc2c(=O)n(C)c(=O)n(C)c2[nH]c1=O
InChI Key	WKUGMNKAXCHUBJ-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 alkyl aryl ethers azacyclic compounds heteroaromatic compounds hydrocarbon derivatives lactams methylpyridines organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines pyridinones pyrimidones ureas vinylogous amides
Substituents	ether lactam polyhalopyridine pyrimidone alkyl aryl ether pyrimidine urea organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine vinylogous amide carbonic acid derivative azacycle heteroaromatic compound methylpyridine pyridine organic oxygen compound pyrido[2,3-d]pyrimidine hydrocarbon derivative organic nitrogen compound pyridinone organooxygen compound

Showing information for DMID02201450