EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22N4O4S |
| Net Charge | 0 |
| Average Mass | 414.487 |
| Monoisotopic Mass | 414.13618 |
| SMILES | COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccoc3C)o2)CC1 |
| InChI | InChI=1S/C20H22N4O4S/c1-14-15(7-12-27-14)19-21-22-20(28-19)29-13-18(25)24-10-8-23(9-11-24)16-5-3-4-6-17(16)26-2/h3-7,12H,8-11,13H2,1-2H3 |
| InChIKey | YZBGMCRGUVPUHK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanone (CHEBI:109023) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20421 | LINCS |