EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H19N5O3 |
| Net Charge | 0 |
| Average Mass | 389.415 |
| Monoisotopic Mass | 389.14879 |
| SMILES | COc1ccc(-c2ocnc2C(=O)NCc2nn(-c3ccccc3)nc2C)cc1 |
| InChI | InChI=1S/C21H19N5O3/c1-14-18(25-26(24-14)16-6-4-3-5-7-16)12-22-21(27)19-20(29-13-23-19)15-8-10-17(28-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,22,27) |
| InChIKey | XQSPWVRPKGJIDF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyl-4-triazolyl)methyl]-4-oxazolecarboxamide (CHEBI:121545) is a 1,3-oxazoles (CHEBI:46812) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32988 | LINCS |