DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:45 UTC
Update Date	2025-03-25 00:48:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168725
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₅O₂
Molecular Mass	263.1382
SMILES	CC(C)C(=O)C1=Nc2c([nH]c(N(C)C)nc2=O)NC1
InChI Key	LUIMRFOTVIVKSJ-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	aminopyrimidines and derivatives azacyclic compounds dialkylarylamines heteroaromatic compounds hydrocarbon derivatives ketimines ketones organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine carbonyl group imine pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound ketone organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound dialkylarylamine vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine aminopyrimidine organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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