EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H19N3O4S2 |
| Net Charge | 0 |
| Average Mass | 441.534 |
| Monoisotopic Mass | 441.08170 |
| SMILES | COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 |
| InChI | InChI=1S/C21H19N3O4S2/c1-21(2)7-11-12(8-28-21)16(13-5-4-6-27-13)24-19-15(11)17-18(30-19)20(23-10-22-17)29-9-14(25)26-3/h4-6,10H,7-9H2,1-3H3 |
| InChIKey | MLNLMDQZKUYJES-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-26256 (CHEBI:114794) is a pyranopyridine (CHEBI:38192) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26256 | LINCS |