EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H18N4O3 |
| Net Charge | 0 |
| Average Mass | 362.389 |
| Monoisotopic Mass | 362.13789 |
| SMILES | CCOC(=O)C1=C(c2ccccc2)N=C2N=CNN2C1c1cccc(O)c1 |
| InChI | InChI=1S/C20H18N4O3/c1-2-27-19(26)16-17(13-7-4-3-5-8-13)23-20-21-12-22-24(20)18(16)14-9-6-10-15(25)11-14/h3-12,18,25H,2H2,1H3,(H,21,22,23) |
| InChIKey | WRSLSOTXAGNVCZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-(3-hydroxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester (CHEBI:116702) is a cinnamate ester (CHEBI:36087) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28155 | LINCS |