EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H25N5O |
| Net Charge | 0 |
| Average Mass | 375.476 |
| Monoisotopic Mass | 375.20591 |
| SMILES | N#Cc1c2c(c(NCCN3CCOCC3)n3c1nc1ccccc13)CCCC2 |
| InChI | InChI=1S/C22H25N5O/c23-15-18-16-5-1-2-6-17(16)21(24-9-10-26-11-13-28-14-12-26)27-20-8-4-3-7-19(20)25-22(18)27/h3-4,7-8,24H,1-2,5-6,9-14H2 |
| InChIKey | JBUXEBPUQKICEF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 11-[2-(4-morpholinyl)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile (CHEBI:112742) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24152 | LINCS |