DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:31 UTC
Update Date	2025-03-25 00:49:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177411
Frequency	0.5
Structure
Chemical Formula	C₇H₆F₃N₅O
Molecular Mass	233.0524
SMILES	Cn1nc(C(F)(F)F)c2c(=O)[nH]c(N)nc21
InChI Key	BFWICJLFWUCIDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyrazolopyrimidines
Subclass	pyrazolo[3,4-d]pyrimidines
Direct Parent	pyrazolo[3,4-d]pyrimidines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl fluorides azacyclic compounds heteroaromatic compounds hydrocarbon derivatives lactams organic oxides organofluorides organooxygen compounds organopnictogen compounds primary amines pyrazoles pyrimidones vinylogous amides
Substituents	lactam pyrimidone organohalogen compound pyrazole pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound alkyl halide azole pyrazolo[3,4-d]pyrimidine vinylogous amide azacycle alkyl fluoride organofluoride heteroaromatic compound organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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