EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H23N7O2S2 |
| Net Charge | 0 |
| Average Mass | 445.574 |
| Monoisotopic Mass | 445.13546 |
| SMILES | CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1 |
| InChI | InChI=1S/C19H23N7O2S2/c1-29-19-21-14-3-2-13(12-15(14)30-19)20-16-22-17(25-4-8-27-9-5-25)24-18(23-16)26-6-10-28-11-7-26/h2-3,12H,4-11H2,1H3,(H,20,22,23,24) |
| InChIKey | YRZLMZPVQMJPAK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine (CHEBI:107622) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18978 | LINCS |