DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:36 UTC
Update Date	2025-03-21 18:39:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126099
Frequency	20.3
Structure
Chemical Formula	C₁₃H₁₃N₅O
Molecular Mass	255.112
SMILES	Nc1nc(=O)c2c([nH]1)NCC(Cc1ccccc1)=N2
InChI Key	MBGYGKKADUJEBK-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	azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organooxygen compounds organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine monocyclic benzene moiety imine pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound 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 benzenoid primary amine organic nitrogen compound amine organooxygen compound

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