EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H14N4O |
| Net Charge | 0 |
| Average Mass | 302.337 |
| Monoisotopic Mass | 302.11676 |
| SMILES | COc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1 |
| InChI | InChI=1S/C18H14N4O/c1-23-15-9-7-13(8-10-15)16-11-17(14-5-3-2-4-6-14)22-18(21-16)19-12-20-22/h2-12H,1H3 |
| InChIKey | LORDMKGLLKRCJP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CHEBI:107252) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18606 | LINCS |