EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N4O |
| Net Charge | 0 |
| Average Mass | 332.407 |
| Monoisotopic Mass | 332.16371 |
| SMILES | Cc1ccc2nc(N3CCN(C=O)CC3)nc(-c3ccccc3)c2c1 |
| InChI | InChI=1S/C20H20N4O/c1-15-7-8-18-17(13-15)19(16-5-3-2-4-6-16)22-20(21-18)24-11-9-23(14-25)10-12-24/h2-8,13-14H,9-12H2,1H3 |
| InChIKey | MPBDJZHWZQFXAO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazinecarboxaldehyde (CHEBI:121020) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32463 | LINCS |