EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H19N5O5S2 |
| Net Charge | 0 |
| Average Mass | 473.536 |
| Monoisotopic Mass | 473.08276 |
| SMILES | COc1ccccc1Nc1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)s1 |
| InChI | InChI=1S/C20H19N5O5S2/c1-28-14-5-3-2-4-13(14)22-19-24-25-20(32-19)31-11-17(26)23-18(27)21-12-6-7-15-16(10-12)30-9-8-29-15/h2-7,10H,8-9,11H2,1H3,(H,22,24)(H2,21,23,26,27) |
| InChIKey | JRQHJDMVYPZDRI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]acetamide (CHEBI:105854) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17215 | LINCS |