EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H13F3N4O2S |
| Net Charge | 0 |
| Average Mass | 382.367 |
| Monoisotopic Mass | 382.07113 |
| SMILES | O=C(c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)N1CCOCC1 |
| InChI | InChI=1S/C16H13F3N4O2S/c17-16(18,19)13-8-11(12-2-1-7-26-12)21-14-10(9-20-23(13)14)15(24)22-3-5-25-6-4-22/h1-2,7-9H,3-6H2 |
| InChIKey | PWJHGUSMJFXEKT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-morpholinyl-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone (CHEBI:120785) is a pyrazolopyrimidine (CHEBI:38669) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32227 | LINCS |