DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:17 UTC
Update Date	2025-03-25 00:51:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188296
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆N₆O
Molecular Mass	284.1386
SMILES	CC(NC1=Nc2c([nH]c(N)nc2=O)NC1)c1ccccc1
InChI Key	HWJDZFAGHXNKEC-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	amidines azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams organic oxides organooxygen compounds organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	monocyclic benzene moiety pyrimidone amidine pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound imidolactam 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

Showing information for DMID02188296