| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:12 UTC |
|---|
| Update Date | 2025-03-21 18:07:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067391 |
|---|
| Frequency | 45.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9N3O |
|---|
| Molecular Mass | 175.0746 |
|---|
| SMILES | COc1ccc2ncnc(N)c2c1 |
|---|
| InChI Key | QVBPHARYACNVKM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazanaphthalenes |
|---|
| Subclass | benzodiazines |
|---|
| Direct Parent | quinazolinamines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
|---|
| Substituents | phenol etheretherazacycleheteroaromatic compoundalkyl aryl etherpyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundquinazolinamineorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compound |
|---|
