EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H14F3N5OS |
| Net Charge | 0 |
| Average Mass | 417.416 |
| Monoisotopic Mass | 417.08712 |
| SMILES | O=C(NCCc1ccccc1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 |
| InChI | InChI=1S/C19H14F3N5OS/c20-19(21,22)15-11-13(14-7-4-10-29-14)24-18-25-16(26-27(15)18)17(28)23-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,23,28) |
| InChIKey | ITAXYYNQZUTCNK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CHEBI:105022) is a triazolopyrimidines (CHEBI:48435) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16385 | LINCS |