| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:19 UTC |
|---|
| Update Date | 2025-03-21 18:32:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00091532 |
|---|
| Frequency | 30.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17ClN6O |
|---|
| Molecular Mass | 320.1152 |
|---|
| SMILES | CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(Cl)cc1 |
|---|
| InChI Key | PIYIIMQSTNIXOF-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 | aryl chloridesazacyclic compoundschlorobenzenesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespyrimidonessecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietylactamorganochloridepyrimidoneorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylamineimidolactamtertiary aminearyl chloridechlorobenzenevinylogous amidepterinazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halideorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
