EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H13N3O |
| Net Charge | 0 |
| Average Mass | 263.300 |
| Monoisotopic Mass | 263.10586 |
| SMILES | Cc1ccc2nc(C(C#N)=Cc3ccc(C)o3)nc2c1 |
| InChI | InChI=1S/C16H13N3O/c1-10-3-6-14-15(7-10)19-16(18-14)12(9-17)8-13-5-4-11(2)20-13/h3-8H,1-2H3,(H,18,19) |
| InChIKey | CNEGNCUOFPNSCH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-methyl-2-furanyl)-2-propenenitrile (CHEBI:95285) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6620 | LINCS |