EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H21N3O2 |
| Net Charge | 0 |
| Average Mass | 287.363 |
| Monoisotopic Mass | 287.16338 |
| SMILES | CC(C)(C)NCC(O)COc1cccc2nc(C#N)cc12 |
| InChI | InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3 |
| InChIKey | QXIUMMLTJVHILT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile (CHEBI:125406) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36892 | LINCS |