EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H21N5O4S |
| Net Charge | 0 |
| Average Mass | 439.497 |
| Monoisotopic Mass | 439.13143 |
| SMILES | CC(=O)Nc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2NCCCO)cc1 |
| InChI | InChI=1S/C21H21N5O4S/c1-14(28)24-15-7-9-16(10-8-15)31(29,30)19(13-22)20-21(23-11-4-12-27)26-18-6-3-2-5-17(18)25-20/h2-3,5-10,19,27H,4,11-12H2,1H3,(H,23,26)(H,24,28) |
| InChIKey | NNAYASCVTJLOSH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide (CHEBI:109204) is a quinoxaline derivative (CHEBI:38771) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20601 | LINCS |