EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N4O |
| Net Charge | 0 |
| Average Mass | 332.407 |
| Monoisotopic Mass | 332.16371 |
| SMILES | OCCCC1=NC2=NC(c3ccccc3)=CC(c3ccccc3)N2N1 |
| InChI | InChI=1S/C20H20N4O/c25-13-7-12-19-22-20-21-17(15-8-3-1-4-9-15)14-18(24(20)23-19)16-10-5-2-6-11-16/h1-6,8-11,14,18,25H,7,12-13H2,(H,21,22,23) |
| InChIKey | XATKXXCDPPBZLW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-propanol (CHEBI:121379) is a triazolopyrimidines (CHEBI:48435) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32822 | LINCS |