DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:03 UTC
Update Date	2025-03-25 00:47:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160288
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₇O
Molecular Mass	263.1495
SMILES	Nc1nc(=O)c2c([nH]1)NCC(C(N)C1CCCN1)=N2
InChI Key	OAHMMJGOPCERHR-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	azacyclic compounds dialkylamines heteroaromatic compounds hydrocarbon derivatives ketimines monoalkylamines organic oxides organooxygen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrimidones pyrrolidines secondary alkylarylamines vinylogous amides
Substituents	ketimine imine pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound pyrrolidine vinylogous amide secondary aliphatic amine pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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