EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H7N3O2S |
| Net Charge | 0 |
| Average Mass | 257.274 |
| Monoisotopic Mass | 257.02590 |
| SMILES | O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1 |
| InChI | InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17) |
| InChIKey | SQWZFLMPDUSYGV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(6-quinoxalinylmethylidene)thiazolidine-2,4-dione (CHEBI:91356) is a quinoxaline derivative (CHEBI:38771) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1054 | LINCS |