EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H21N3O2S |
| Net Charge | 0 |
| Average Mass | 319.430 |
| Monoisotopic Mass | 319.13545 |
| SMILES | CCc1cncc2cccc(S(=O)(=O)N3CCCNCC3)c12 |
| InChI | InChI=1S/C16H21N3O2S/c1-2-13-11-18-12-14-5-3-6-15(16(13)14)22(20,21)19-9-4-7-17-8-10-19/h3,5-6,11-12,17H,2,4,7-10H2,1H3 |
| InChIKey | AZCPHIJXTJGNPK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(1,4-diazepan-1-ylsulfonyl)-4-ethylisoquinoline (CHEBI:125322) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36794 | LINCS |