EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H14N4O |
| Net Charge | 0 |
| Average Mass | 278.315 |
| Monoisotopic Mass | 278.11676 |
| SMILES | c1ccc2nc(COCc3nc4ccccc4n3)nc2c1 |
| InChI | InChI=1S/C16H14N4O/c1-2-6-12-11(5-1)17-15(18-12)9-21-10-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20) |
| InChIKey | ARJVRZCHBXVMAC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1H-benzimidazol-2-ylmethoxymethyl)-1H-benzimidazole (CHEBI:92016) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1989 | LINCS |