| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:38 UTC |
|---|
| Update Date | 2025-03-25 00:49:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177701 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6N2S |
|---|
| Molecular Mass | 162.0252 |
|---|
| SMILES | S=c1[nH]cnc2ccccc12 |
|---|
| InChI Key | TWWNPUZQYVWXJY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazanaphthalenes |
|---|
| Subclass | benzodiazines |
|---|
| Direct Parent | quinazolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspyrimidinethionesthiolactams |
|---|
| Substituents | pyrimidinethioneazacycleheteroaromatic compoundorganosulfur compoundpyrimidinearomatic heteropolycyclic compoundthiolactamorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazoline |
|---|
