EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H23N3O |
| Net Charge | 0 |
| Average Mass | 321.424 |
| Monoisotopic Mass | 321.18411 |
| SMILES | CC[C@]1(c2ccccc2)C2=CNNC2=NC2=C1C(=O)CC(C)(C)C2 |
| InChI | InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1 |
| InChIKey | NCKLQXXBRWCYMA-FQEVSTJZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| BRD0705 (CHEBI:747872) is a organic molecular entity (CHEBI:50860) |
| Registry Numbers | Sources |
|---|---|
| CAS:2056261-41-5 | CAS |