DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:11 UTC
Update Date	2025-03-25 00:51:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185723
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₇O
Molecular Mass	289.1651
SMILES	Nc1nc(=O)c2c([nH]1)NCC(N1CCN(C3CC3)CC1)=N2
InChI Key	VYGKISYAVFYNIB-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 heteroaromatic compounds hydrocarbon derivatives imidolactams n-alkylpiperazines organic oxides organooxygen compounds organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines trialkylamines vinylogous amides
Substituents	pyrimidone amidine pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide piperazine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound imidolactam tertiary amine vinylogous amide pterin azacycle n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound 1,4-diazinane hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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