EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H21F3N6O4 |
| Net Charge | 0 |
| Average Mass | 466.420 |
| Monoisotopic Mass | 466.15764 |
| SMILES | Cn1c(=O)c2ncn(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2n(C)c1=O |
| InChI | InChI=1S/C20H21F3N6O4/c1-26-17-16(18(31)27(2)19(26)32)24-11-29(17)10-15(30)25-13-9-12(20(21,22)23)3-4-14(13)28-5-7-33-8-6-28/h3-4,9,11H,5-8,10H2,1-2H3,(H,25,30) |
| InChIKey | IABMUKYFUPBYAS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide (CHEBI:109298) is a morpholines (CHEBI:38785) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20696 | LINCS |