EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17N3O2 |
| Net Charge | 0 |
| Average Mass | 307.353 |
| Monoisotopic Mass | 307.13208 |
| SMILES | COc1cnc(-c2ccccn2)nc1Oc1c(C)cccc1C |
| InChI | InChI=1S/C18H17N3O2/c1-12-7-6-8-13(2)16(12)23-18-15(22-3)11-20-17(21-18)14-9-4-5-10-19-14/h4-11H,1-3H3 |
| InChIKey | LTVKLRHBVSLSPX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(2,6-dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine (CHEBI:116105) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27561 | LINCS |