EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H15FN4O |
| Net Charge | 0 |
| Average Mass | 346.365 |
| Monoisotopic Mass | 346.12299 |
| SMILES | N#Cc1ccc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)cc1F |
| InChI | InChI=1S/C20H15FN4O/c21-15-10-12(3-4-13(15)11-22)17-18-16(2-1-7-23-18)25-9-8-24(14-5-6-14)20(26)19(17)25/h1-4,7,10,14H,5-6,8-9H2 |
| InChIKey | YWTCDMZVTLNYLN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pf-06445974 (CHEBI:759818) is a benzenes (CHEBI:22712) |
| pf-06445974 (CHEBI:759818) is a nitrile (CHEBI:18379) |