EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12N2OS |
| Net Charge | 0 |
| Average Mass | 232.308 |
| Monoisotopic Mass | 232.06703 |
| SMILES | CCSc1nc(-c2ccccc2)cc(=O)n1 |
| InChI | InChI=1S/C12H12N2OS/c1-2-16-12-13-10(8-11(15)14-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15) |
| InChIKey | JUSHOYXQHVQBDG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(ethylthio)-6-phenyl-1H-pyrimidin-4-one (CHEBI:92686) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2865 | LINCS |