EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H23N5O3S |
| Net Charge | 0 |
| Average Mass | 449.536 |
| Monoisotopic Mass | 449.15216 |
| SMILES | COc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)N4CCCC(C)C4)cc3nc2s1 |
| InChI | InChI=1S/C23H23N5O3S/c1-14-6-5-11-27(13-14)20(29)15-9-10-16-18(12-15)25-23-28(21(16)30)26-22(32-23)24-17-7-3-4-8-19(17)31-2/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,24,26) |
| InChIKey | KAODUXUKZKDUMM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(2-methoxyanilino)-8-[(3-methyl-1-piperidinyl)-oxomethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CHEBI:108573) is a N-acylpiperidine (CHEBI:48591) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19947 | LINCS |