DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:21 UTC
Update Date	2025-03-25 00:57:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225188
Frequency	0.5
Structure
Chemical Formula	C₁₉H₁₈N₈O₂
Molecular Mass	390.1553
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)Nc3cccnc3)cc1)=N2
InChI Key	FRVBMZMXHHAIRJ-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	amino acids and derivatives azacyclic compounds benzamides benzoyl derivatives carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organooxygen compounds organopnictogen compounds phenylalkylamines primary amines propargyl-type 1,3-dipolar organic compounds pyridines and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	ketimine monocyclic benzene moiety amino acid or derivatives imine benzoyl pyrimidone carboxylic acid derivative benzamide pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide pyridine organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02225188