EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H19N3O |
| Net Charge | 0 |
| Average Mass | 329.403 |
| Monoisotopic Mass | 329.15281 |
| SMILES | COc1ccc(-c2c(C)nn3c(-c4ccccc4)cc(C)nc23)cc1 |
| InChI | InChI=1S/C21H19N3O/c1-14-13-19(16-7-5-4-6-8-16)24-21(22-14)20(15(2)23-24)17-9-11-18(25-3)12-10-17/h4-13H,1-3H3 |
| InChIKey | MHMXZDIZADPLOU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(4-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine (CHEBI:112161) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23573 | LINCS |