DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:35 UTC
Update Date	2025-03-25 00:59:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239122
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆ClN₇O₂
Molecular Mass	349.1054
SMILES	NC(=O)c1ccc(NCC2CNc3[nH]c(N)nc(=O)c3N2)cc1Cl
InChI Key	XCVCSXYBKRJGFA-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	2-halobenzoic acids and derivatives amino acids and derivatives aryl chlorides azacyclic compounds benzamides benzoyl derivatives carboxylic acids and derivatives chlorobenzenes heteroaromatic compounds hydrocarbon derivatives organic oxides organochlorides organooxygen compounds organopnictogen compounds phenylalkylamines primary amines primary carboxylic acid amides pyrimidones secondary alkylarylamines vinylogous amides vinylogous halides
Substituents	primary carboxylic acid amide monocyclic benzene moiety amino acid or derivatives organochloride benzoyl pyrimidone carboxylic acid derivative organohalogen compound benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound aryl chloride chlorobenzene vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives halobenzoic acid or derivatives secondary amine carboxamide group vinylogous halide 2-halobenzoic acid or derivatives 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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