| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:01:50 UTC |
|---|
| Update Date | 2025-03-21 18:07:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00066536 |
|---|
| Frequency | 45.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H19N3O2S |
|---|
| Molecular Mass | 329.1198 |
|---|
| SMILES | COc1ccc2nc(S(=O)Cc3ncc(C)c(C)c3C)[nH]c2c1 |
|---|
| InChI Key | DXFSPTKKSHFNBY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | sulfinylbenzimidazoles |
|---|
| Direct Parent | sulfinylbenzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxides |
|---|
| Substituents | phenol etheretherpolyhalopyridinealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacycleheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
