EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H19N3OS |
| Net Charge | 0 |
| Average Mass | 313.426 |
| Monoisotopic Mass | 313.12488 |
| SMILES | COc1ccccc1N1CN(Cc2ccccc2)CNC1=S |
| InChI | InChI=1S/C17H19N3OS/c1-21-16-10-6-5-9-15(16)20-13-19(12-18-17(20)22)11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,22) |
| InChIKey | XRORQPYKVYMLRB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2-methoxyphenyl)-5-(phenylmethyl)-1,3,5-triazinane-2-thione (CHEBI:114695) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26157 | LINCS |