EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H19N5S |
| Net Charge | 0 |
| Average Mass | 313.430 |
| Monoisotopic Mass | 313.13612 |
| SMILES | c1ccc2c(c1)nc1nc(SCCN3CCCCC3)nnc12 |
| InChI | InChI=1S/C16H19N5S/c1-4-8-21(9-5-1)10-11-22-16-18-15-14(19-20-16)12-6-2-3-7-13(12)17-15/h2-3,6-7H,1,4-5,8-11H2,(H,17,18,20) |
| InChIKey | DRVRCPIXTBQSMC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[2-(1-piperidinyl)ethylthio]-5H-[1,2,4]triazino[5,6-b]indole (CHEBI:94120) is a triazinoindole (CHEBI:142677) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4728 | LINCS |