EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22N4O2S |
| Net Charge | 0 |
| Average Mass | 382.489 |
| Monoisotopic Mass | 382.14635 |
| SMILES | CCN(CC(=O)Nc1ccccc1SC)Cc1nc(=O)c2ccccc2n1 |
| InChI | InChI=1S/C20H22N4O2S/c1-3-24(13-19(25)22-16-10-6-7-11-17(16)27-2)12-18-21-15-9-5-4-8-14(15)20(26)23-18/h4-11H,3,12-13H2,1-2H3,(H,22,25)(H,21,23,26) |
| InChIKey | HLUWVTNAQCFBSF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[2-(methylthio)phenyl]acetamide (CHEBI:112232) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23644 | LINCS |