EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N4O2S |
| Net Charge | 0 |
| Average Mass | 342.424 |
| Monoisotopic Mass | 342.11505 |
| SMILES | Cc1cc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)no1 |
| InChI | InChI=1S/C17H18N4O2S/c1-10(2)16-18-13-7-5-4-6-12(13)17(20-16)24-9-15(22)19-14-8-11(3)23-21-14/h4-8,10H,9H2,1-3H3,(H,19,21,22) |
| InChIKey | MGDZMXRQAZCEAN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide (CHEBI:121577) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33020 | LINCS |