EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N4O4 |
| Net Charge | 0 |
| Average Mass | 354.366 |
| Monoisotopic Mass | 354.13281 |
| SMILES | COCc1cc(C)nc(OCC(=O)NNC=C2C=CC=CC2=O)c1C#N |
| InChI | InChI=1S/C18H18N4O4/c1-12-7-14(10-25-2)15(8-19)18(21-12)26-11-17(24)22-20-9-13-5-3-4-6-16(13)23/h3-7,9,20H,10-11H2,1-2H3,(H,22,24) |
| InChIKey | XPQCHXZUHISDIH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy-N'-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide (CHEBI:120598) is a quinomethanes (CHEBI:52404) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32041 | LINCS |