EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N3 |
| Net Charge | 0 |
| Average Mass | 251.333 |
| Monoisotopic Mass | 251.14225 |
| SMILES | CCC(C)c1ccc(Nc2ncccc2C#N)cc1 |
| InChI | InChI=1S/C16H17N3/c1-3-12(2)13-6-8-15(9-7-13)19-16-14(11-17)5-4-10-18-16/h4-10,12H,3H2,1-2H3,(H,18,19) |
| InChIKey | BVFMRMYKLFNXLT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-butan-2-ylanilino)-3-pyridinecarbonitrile (CHEBI:107366) is a alkylbenzene (CHEBI:38976) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18720 | LINCS |