| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:44 UTC |
|---|
| Update Date | 2025-03-25 00:54:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207471 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H9N3OS |
|---|
| Molecular Mass | 231.0466 |
|---|
| SMILES | Nc1nc(=O)c2c([nH]1)CSc1ccccc1-2 |
|---|
| InChI Key | JBBBOGWIXWMCPZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiopyrans |
|---|
| Subclass | 1-benzothiopyrans |
|---|
| Direct Parent | 1-benzothiopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkylarylthioethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonesvinylogous amides |
|---|
| Substituents | vinylogous amideazacycleheteroaromatic compoundpyrimidonealkylarylthioetheraryl thioetherpyrimidine1-benzothiopyranorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
