EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26N4O3S2 |
| Net Charge | 0 |
| Average Mass | 446.598 |
| Monoisotopic Mass | 446.14463 |
| SMILES | CCCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1 |
| InChI | InChI=1S/C21H26N4O3S2/c1-6-7-12(2)19(26)25-21-22-13(3)18(30-21)16-11-29-20(24-16)23-15-10-14(27-4)8-9-17(15)28-5/h8-12H,6-7H2,1-5H3,(H,23,24)(H,22,25,26) |
| InChIKey | JAZWKYQDMWHNDM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[5-[2-(2,5-dimethoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide (CHEBI:109392) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20790 | LINCS |