EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19N5O5 |
| Net Charge | 0 |
| Average Mass | 397.391 |
| Monoisotopic Mass | 397.13862 |
| SMILES | COc1ccc(Cc2nnc(NNC=C3C=CC(=O)C=C3O)nc2=O)cc1OC |
| InChI | InChI=1S/C19H19N5O5/c1-28-16-6-3-11(8-17(16)29-2)7-14-18(27)21-19(24-22-14)23-20-10-12-4-5-13(25)9-15(12)26/h3-6,8-10,20,26H,7H2,1-2H3,(H2,21,23,24,27) |
| InChIKey | IHMAKURAYRUGML-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-2H-1,2,4-triazin-5-one (CHEBI:105061) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16424 | LINCS |