EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H21N3O3 |
| Net Charge | 0 |
| Average Mass | 339.395 |
| Monoisotopic Mass | 339.15829 |
| SMILES | CCOC(=O)C1CCCN(c2nc(C)nc3c2oc2ccccc23)C1 |
| InChI | InChI=1S/C19H21N3O3/c1-3-24-19(23)13-7-6-10-22(11-13)18-17-16(20-12(2)21-18)14-8-4-5-9-15(14)25-17/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3 |
| InChIKey | XVSASXGJQRVIDN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidinecarboxylic acid ethyl ester (CHEBI:104034) is a benzofurans (CHEBI:35259) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15392 | LINCS |