EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H22N6O2S2 |
| Net Charge | 0 |
| Average Mass | 406.537 |
| Monoisotopic Mass | 406.12457 |
| SMILES | CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)s1 |
| InChI | InChI=1S/C17H22N6O2S2/c1-5-14-19-21-16(27-14)18-13(24)9-26-17-22-20-15(23(17)8-10(2)3)12-6-7-25-11(12)4/h6-7,10H,5,8-9H2,1-4H3,(H,18,21,24) |
| InChIKey | HSMBFKVOTOXWBD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-methyl-3-furanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:109135) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20533 | LINCS |