EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H16N6O2 |
| Net Charge | 0 |
| Average Mass | 372.388 |
| Monoisotopic Mass | 372.13347 |
| SMILES | COc1cccc(OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c1 |
| InChI | InChI=1S/C20H16N6O2/c1-27-15-8-5-9-16(10-15)28-12-18-23-20-17-11-22-26(14-6-3-2-4-7-14)19(17)21-13-25(20)24-18/h2-11,13H,12H2,1H3 |
| InChIKey | JCHUBYMCQWSHHT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-17424 (CHEBI:106063) is a pyrazoles (CHEBI:26410) |
| LSM-17424 (CHEBI:106063) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17424 | LINCS |