EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H23N5S |
| Net Charge | 0 |
| Average Mass | 329.473 |
| Monoisotopic Mass | 329.16742 |
| SMILES | CC1CCCCC1N1CN=C(Nc2nc3ccccc3s2)NC1 |
| InChI | InChI=1S/C17H23N5S/c1-12-6-2-4-8-14(12)22-10-18-16(19-11-22)21-17-20-13-7-3-5-9-15(13)23-17/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H2,18,19,20,21) |
| InChIKey | FDWGGRWUHUOODU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[3-(2-methylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine (CHEBI:109147) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20544 | LINCS |