EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H22N4O2S |
| Net Charge | 0 |
| Average Mass | 358.467 |
| Monoisotopic Mass | 358.14635 |
| SMILES | CC=Cc1ccc(C2[C@@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@H]2N3)cc1 |
| InChI | InChI=1S/C18H22N4O2S/c1-3-4-13-5-7-14(8-6-13)18-15-9-22(10-16(18)20-15)25(23,24)17-11-21(2)12-19-17/h3-8,11-12,15-16,18,20H,9-10H2,1-2H3/t15-,16+,18? |
| InChIKey | MNGSHUISMCUCGK-BYICEURKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36494 (CHEBI:125032) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36494 | LINCS |