EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H26N4O2S |
| Net Charge | 0 |
| Average Mass | 410.543 |
| Monoisotopic Mass | 410.17765 |
| SMILES | CCOCCCNC(=S)N(Cc1ccccc1)Cc1nc(=O)c2ccccc2n1 |
| InChI | InChI=1S/C22H26N4O2S/c1-2-28-14-8-13-23-22(29)26(15-17-9-4-3-5-10-17)16-20-24-19-12-7-6-11-18(19)21(27)25-20/h3-7,9-12H,2,8,13-16H2,1H3,(H,23,29)(H,24,25,27) |
| InChIKey | RCUFQEKOSIVSRM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(3-ethoxypropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea (CHEBI:120665) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32107 | LINCS |