EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H14N2O2S |
| Net Charge | 0 |
| Average Mass | 262.334 |
| Monoisotopic Mass | 262.07760 |
| SMILES | COc1ccc(CSc2nc(C)cc(=O)n2)cc1 |
| InChI | InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16) |
| InChIKey | XMFWHLZTTUUQHL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one (CHEBI:92836) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3060 | LINCS |