EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H23N3O2 |
| Net Charge | 0 |
| Average Mass | 313.401 |
| Monoisotopic Mass | 313.17903 |
| SMILES | CCC1(CC)Cc2ccccc2-c2nc(NCCO)nc(=O)c21 |
| InChI | InChI=1S/C18H23N3O2/c1-3-18(4-2)11-12-7-5-6-8-13(12)15-14(18)16(23)21-17(20-15)19-9-10-22/h5-8,22H,3-4,9-11H2,1-2H3,(H2,19,20,21,23) |
| InChIKey | MBCNBIJDGYZRSY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,5-diethyl-2-(2-hydroxyethylamino)-1,6-dihydrobenzo[h]quinazolin-4-one (CHEBI:107420) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18774 | LINCS |