EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H21N5S |
| Net Charge | 0 |
| Average Mass | 327.457 |
| Monoisotopic Mass | 327.15177 |
| SMILES | Cn1c2ccccc2c2nnc(SCCN3CCCCC3)nc21 |
| InChI | InChI=1S/C17H21N5S/c1-21-14-8-4-3-7-13(14)15-16(21)18-17(20-19-15)23-12-11-22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-12H2,1H3 |
| InChIKey | XITGWFXTPSSAOI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methyl-3-[2-(1-piperidinyl)ethylthio]-[1,2,4]triazino[5,6-b]indole (CHEBI:94085) is a triazinoindole (CHEBI:142677) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4691 | LINCS |