EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H22N4O |
| Net Charge | 0 |
| Average Mass | 310.401 |
| Monoisotopic Mass | 310.17936 |
| SMILES | Cc1c(C=C2CCCC(=Cc3cnn(C)c3C)C2=O)cnn1C |
| InChI | InChI=1S/C18H22N4O/c1-12-16(10-19-21(12)3)8-14-6-5-7-15(18(14)23)9-17-11-20-22(4)13(17)2/h8-11H,5-7H2,1-4H3 |
| InChIKey | POYKOUXGSGTAEI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,6-bis[(1,5-dimethyl-4-pyrazolyl)methylidene]-1-cyclohexanone (CHEBI:108193) is a pyrazoles (CHEBI:26410) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19570 | LINCS |