EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H20N6O |
| Net Charge | 0 |
| Average Mass | 384.443 |
| Monoisotopic Mass | 384.16986 |
| SMILES | c1ccc2nc(CN3CCN(c4ncnc5c4oc4ccccc45)CC3)nc2c1 |
| InChI | InChI=1S/C22H20N6O/c1-4-8-18-15(5-1)20-21(29-18)22(24-14-23-20)28-11-9-27(10-12-28)13-19-25-16-6-2-3-7-17(16)26-19/h1-8,14H,9-13H2,(H,25,26) |
| InChIKey | YJOVISWECAGURX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidine (CHEBI:112255) is a N-arylpiperazine (CHEBI:46848) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23667 | LINCS |