EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H12N4S |
| Net Charge | 0 |
| Average Mass | 256.334 |
| Monoisotopic Mass | 256.07827 |
| SMILES | Cc1cc(C)nc(Nc2nc3ccccc3s2)n1 |
| InChI | InChI=1S/C13H12N4S/c1-8-7-9(2)15-12(14-8)17-13-16-10-5-3-4-6-11(10)18-13/h3-7H,1-2H3,(H,14,15,16,17) |
| InChIKey | PLHCEZLRRVUOQJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine (CHEBI:114748) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26210 | LINCS |