EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H17F2N5O3S |
| Net Charge | 0 |
| Average Mass | 469.473 |
| Monoisotopic Mass | 469.10202 |
| SMILES | Cn1c(=O)c2c(SCC(=O)Nc3ccccc3F)nc(-c3ccccc3F)nc2n(C)c1=O |
| InChI | InChI=1S/C22H17F2N5O3S/c1-28-19-17(21(31)29(2)22(28)32)20(27-18(26-19)12-7-3-4-8-13(12)23)33-11-16(30)25-15-10-6-5-9-14(15)24/h3-10H,11H2,1-2H3,(H,25,30) |
| InChIKey | FYPQJYNLIRLFPZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-fluorophenyl)-2-[[7-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]acetamide (CHEBI:113019) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24429 | LINCS |