EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H15N3O2S |
| Net Charge | 0 |
| Average Mass | 313.382 |
| Monoisotopic Mass | 313.08850 |
| SMILES | Cc1ccc(N2C(=O)CC(Sc3ncccn3)C2=O)cc1C |
| InChI | InChI=1S/C16H15N3O2S/c1-10-4-5-12(8-11(10)2)19-14(20)9-13(15(19)21)22-16-17-6-3-7-18-16/h3-8,13H,9H2,1-2H3 |
| InChIKey | UIYJICROOQGZQK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(3,4-dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dione (CHEBI:106051) is a pyrrolidines (CHEBI:38260) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17412 | LINCS |