DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:18 UTC
Update Date	2025-03-25 00:54:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02204206
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₂N₄
Molecular Mass	236.1062
SMILES	c1ccc(CNc2ncnc3ncccc23)cc1
InChI Key	FVEXQJMRVAZNAH-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 imidolactams organopnictogen compounds polyhalopyridines pyridines and derivatives pyrimidines and pyrimidine derivatives secondary alkylarylamines
Substituents	monocyclic benzene moiety azacycle polyhalopyridine heteroaromatic compound secondary amine secondary aliphatic/aromatic amine pyrimidine pyridine pyrido[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound hydrocarbon derivative benzenoid 2-halopyridine organic nitrogen compound imidolactam amine

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