EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N2OS |
| Net Charge | 0 |
| Average Mass | 310.422 |
| Monoisotopic Mass | 310.11398 |
| SMILES | CCn1c(C(=O)N2CCc3ccccc3C2)cc2sccc21 |
| InChI | InChI=1S/C18H18N2OS/c1-2-20-15-8-10-22-17(15)11-16(20)18(21)19-9-7-13-5-3-4-6-14(13)12-19/h3-6,8,10-11H,2,7,9,12H2,1H3 |
| InChIKey | JXLPIBCMUXRALJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanone (CHEBI:121997) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33440 | LINCS |