DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:42 UTC
Update Date	2025-03-25 00:58:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230318
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆N₆O
Molecular Mass	248.1386
SMILES	CN(C)CCNc1ccnc2nc(N)[nH]c(=O)c12
InChI Key	SGALWCHOVYPPCT-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 primary amines pyrimidones secondary alkylarylamines trialkylamines vinylogous amides
Substituents	lactam polyhalopyridine pyrimidone pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine tertiary amine vinylogous amide azacycle heteroaromatic compound tertiary aliphatic amine methylpyridine secondary amine secondary aliphatic/aromatic amine pyridine organic oxygen compound pyrido[2,3-d]pyrimidine hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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