DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:06 UTC
Update Date	2025-03-21 18:29:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00079239
Frequency	36.8
Structure
Chemical Formula	C₁₃H₁₃ClN₆O
Molecular Mass	304.0839
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(Cl)cc1)=N2
InChI Key	HDPILMZWQBAZPL-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	aryl chlorides azacyclic compounds chlorobenzenes heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organochlorides organooxygen compounds organopnictogen compounds phenylalkylamines primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine monocyclic benzene moiety imine organochloride pyrimidone organohalogen compound pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound aryl chloride chlorobenzene vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine aryl halide organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound halobenzene amine organooxygen compound

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