EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H20N6O3S |
| Net Charge | 0 |
| Average Mass | 448.508 |
| Monoisotopic Mass | 448.13176 |
| SMILES | CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1 |
| InChI | InChI=1S/C22H20N6O3S/c1-2-31-16-11-9-15(10-12-16)23-20(29)14-28-26-21(25-27-28)17-6-3-4-7-18(17)24-22(30)19-8-5-13-32-19/h3-13H,2,14H2,1H3,(H,23,29)(H,24,30) |
| InChIKey | PYMLELABQHUYOZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-thiophenecarboxamide (CHEBI:121169) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32612 | LINCS |