EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H22N6O2S |
| Net Charge | 0 |
| Average Mass | 458.547 |
| Monoisotopic Mass | 458.15249 |
| SMILES | Cc1ccc(-c2nnn3c2nc(NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc23)cc1 |
| InChI | InChI=1S/C24H22N6O2S/c1-16-6-10-18(11-7-16)22-24-27-23(20-4-2-3-5-21(20)30(24)29-28-22)26-15-14-17-8-12-19(13-9-17)33(25,31)32/h2-13H,14-15H2,1H3,(H,26,27)(H2,25,31,32) |
| InChIKey | GXEHDKDVKTUCMK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide (CHEBI:105453) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16816 | LINCS |