EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H20N6OS |
| Net Charge | 0 |
| Average Mass | 404.499 |
| Monoisotopic Mass | 404.14193 |
| SMILES | CCn1c2ccccc2c2nnc(SCCCn3c(=O)nc4ccccc43)nc21 |
| InChI | InChI=1S/C21H20N6OS/c1-2-26-16-10-5-3-8-14(16)18-19(26)23-20(25-24-18)29-13-7-12-27-17-11-6-4-9-15(17)22-21(27)28/h3-6,8-11H,2,7,12-13H2,1H3,(H,22,28) |
| InChIKey | ZVNFFJMAVRCTRS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one (CHEBI:93670) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4146 | LINCS |