EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H20N4O2 |
| Net Charge | 0 |
| Average Mass | 300.362 |
| Monoisotopic Mass | 300.15863 |
| SMILES | CCOc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1 |
| InChI | InChI=1S/C16H20N4O2/c1-2-21-13-9-7-12(8-10-13)15-19-20-16(22-15)18-14-6-4-3-5-11-17-14/h7-10H,2-6,11H2,1H3,(H,17,18,20) |
| InChIKey | INPNMBZFXUQZPZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine (CHEBI:107579) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18935 | LINCS |