DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:20 UTC
Update Date	2025-03-25 00:57:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225158
Frequency	0.5
Structure
Chemical Formula	C₇H₆ClN₅O₂
Molecular Mass	227.021
SMILES	Nc1nc(=O)c2c([nH]1)NCC(C(=O)Cl)=N2
InChI Key	QCANMXPCCZSDIV-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	acyl chlorides azacyclic compounds carbonyl compounds heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organochlorides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine carbonyl group imine organochloride pyrimidone organohalogen compound pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound acyl chloride organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine acyl halide secondary aliphatic/aromatic amine organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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