EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19N5O2S2 |
| Net Charge | 0 |
| Average Mass | 413.528 |
| Monoisotopic Mass | 413.09802 |
| SMILES | COc1ccc(-n2cnnc2SC(C)c2nc(=O)c3c(C)c(C)sc3n2)cc1 |
| InChI | InChI=1S/C19H19N5O2S2/c1-10-11(2)27-18-15(10)17(25)21-16(22-18)12(3)28-19-23-20-9-24(19)13-5-7-14(26-4)8-6-13/h5-9,12H,1-4H3,(H,21,22,25) |
| InChIKey | HUKKCFAPUOUOIK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[1-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CHEBI:108484) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19860 | LINCS |