EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N2O3S |
| Net Charge | 0 |
| Average Mass | 368.458 |
| Monoisotopic Mass | 368.11946 |
| SMILES | COC(=O)CSC1=C(C#N)C(c2ccc(C)cc2)C2C(=O)CCCC2=N1 |
| InChI | InChI=1S/C20H20N2O3S/c1-12-6-8-13(9-7-12)18-14(10-21)20(26-11-17(24)25-2)22-15-4-3-5-16(23)19(15)18/h6-9,18-19H,3-5,11H2,1-2H3 |
| InChIKey | XSQAYLCOQFOXAK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-19862 (CHEBI:108486) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19862 | LINCS |