DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:50 UTC
Update Date	2025-03-25 00:59:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237447
Frequency	0.5
Structure
Chemical Formula	C₈H₅F₃N₄O₂
Molecular Mass	246.0365
SMILES	Nc1nc(=O)c2c(C(F)(F)F)cc(=O)[nH]c2[nH]1
InChI Key	KVXALKMRQSEILK-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 fluorides azacyclic compounds heteroaromatic compounds hydrocarbon derivatives lactams organic oxides organofluorides organooxygen compounds organopnictogen compounds polyhalopyridines primary amines pyridines and derivatives pyridinones pyrimidones vinylogous amides
Substituents	lactam polyhalopyridine pyrimidone organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound alkyl halide 2-halopyridine vinylogous amide azacycle alkyl fluoride organofluoride heteroaromatic compound pyridine organic oxygen compound pyrido[2,3-d]pyrimidine hydrocarbon derivative primary amine organic nitrogen compound pyridinone amine organooxygen compound

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