EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H10N2OS3 |
| Net Charge | 0 |
| Average Mass | 294.426 |
| Monoisotopic Mass | 293.99553 |
| SMILES | CCn1c(=S)nc2scc(-c3cccs3)c2c1=O |
| InChI | InChI=1S/C12H10N2OS3/c1-2-14-11(15)9-7(8-4-3-5-17-8)6-18-10(9)13-12(14)16/h3-6H,2H2,1H3,(H,13,16) |
| InChIKey | NRUIJZZBQQZHSB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one (CHEBI:112381) is a ring assembly (CHEBI:36820) |
| 3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one (CHEBI:112381) is a thiophenes (CHEBI:26961) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23793 | LINCS |