EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H21N3O |
| Net Charge | 0 |
| Average Mass | 295.386 |
| Monoisotopic Mass | 295.16846 |
| SMILES | CCc1nc(N2CCCC(C)C2)c2oc3ccccc3c2n1 |
| InChI | InChI=1S/C18H21N3O/c1-3-15-19-16-13-8-4-5-9-14(13)22-17(16)18(20-15)21-10-6-7-12(2)11-21/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3 |
| InChIKey | KKDYLHGEMMJKFV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-ethyl-4-(3-methyl-1-piperidinyl)benzofuro[3,2-d]pyrimidine (CHEBI:103999) is a benzofurans (CHEBI:35259) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15353 | LINCS |