EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H19N5O |
| Net Charge | 0 |
| Average Mass | 369.428 |
| Monoisotopic Mass | 369.15896 |
| SMILES | c1ccc(-c2nc(NCCCn3ccnc3)c3oc4ccccc4c3n2)cc1 |
| InChI | InChI=1S/C22H19N5O/c1-2-7-16(8-3-1)21-25-19-17-9-4-5-10-18(17)28-20(19)22(26-21)24-11-6-13-27-14-12-23-15-27/h1-5,7-10,12,14-15H,6,11,13H2,(H,24,25,26) |
| InChIKey | ZXPRMDFCJHQDNF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[3-(1-imidazolyl)propyl]-2-phenyl-4-benzofuro[3,2-d]pyrimidinamine (CHEBI:104074) is a benzofurans (CHEBI:35259) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15432 | LINCS |