EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H9N7S2 |
| Net Charge | 0 |
| Average Mass | 315.387 |
| Monoisotopic Mass | 315.03609 |
| SMILES | Cn1nnnc1Sc1ncnc2scc(-c3cccn3)c12 |
| InChI | InChI=1S/C12H9N7S2/c1-19-12(16-17-18-19)21-11-9-7(8-3-2-4-13-8)5-20-10(9)14-6-15-11/h2-6,13H,1H3 |
| InChIKey | QBDCQPFFYLAJJK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(1-methyl-5-tetrazolyl)thio]-5-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidine (CHEBI:93557) is a aryl sulfide (CHEBI:35683) |
| 4-[(1-methyl-5-tetrazolyl)thio]-5-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidine (CHEBI:93557) is a thienopyrimidine (CHEBI:143212) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3995 | LINCS |