DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:38 UTC
Update Date	2025-03-21 18:29:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00078104
Frequency	37.5
Structure
Chemical Formula	C₁₀H₁₁N₅O₂
Molecular Mass	233.0913
SMILES	CC=CC(=O)C1=Nc2c([nH]c(N)nc2=O)NC1
InChI Key	QZRYFQZNPXGFCB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha,beta-unsaturated ketones azacyclic compounds heteroaromatic compounds hydrocarbon derivatives ketimines ketones organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine carbonyl group imine pyrimidone alpha,beta-unsaturated ketone pyrimidine propargyl-type 1,3-dipolar organic compound ketone organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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