EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H7F3N4O |
| Net Charge | 0 |
| Average Mass | 220.154 |
| Monoisotopic Mass | 220.05720 |
| SMILES | O=C(NCC(F)(F)F)Nc1ncccn1 |
| InChI | InChI=1S/C7H7F3N4O/c8-7(9,10)4-13-6(15)14-5-11-2-1-3-12-5/h1-3H,4H2,(H2,11,12,13,14,15) |
| InChIKey | NKAPMRLUPGBPCH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2-pyrimidinyl)-3-(2,2,2-trifluoroethyl)urea (CHEBI:116493) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27948 | LINCS |