EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N2O3S |
| Net Charge | 0 |
| Average Mass | 382.485 |
| Monoisotopic Mass | 382.13511 |
| SMILES | CCOC(=O)CSC1=C(C#N)C(c2ccc(C)cc2)C2C(=O)CCCC2=N1 |
| InChI | InChI=1S/C21H22N2O3S/c1-3-26-18(25)12-27-21-15(11-22)19(14-9-7-13(2)8-10-14)20-16(23-21)5-4-6-17(20)24/h7-10,19-20H,3-6,12H2,1-2H3 |
| InChIKey | YOCIGGXACNXBQR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-19143 (CHEBI:107766) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19143 | LINCS |