EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H15N5O4S |
| Net Charge | 0 |
| Average Mass | 409.427 |
| Monoisotopic Mass | 409.08447 |
| SMILES | COc1ccc2nc3nc(SCC(=O)Nc4ccc5c(c4)OCO5)nnc3c2c1 |
| InChI | InChI=1S/C19H15N5O4S/c1-26-11-3-4-13-12(7-11)17-18(21-13)22-19(24-23-17)29-8-16(25)20-10-2-5-14-15(6-10)28-9-27-14/h2-7H,8-9H2,1H3,(H,20,25)(H,21,22,24) |
| InChIKey | SDHGBSYDYXYUND-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzodioxol-5-yl)-2-[(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide (CHEBI:114903) is a hydroxyindoles (CHEBI:84729) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26366 | LINCS |