| PDB CCD ID: | X2S |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H13 Cl F N3 O7 S |
| InChI: | InChI=1S/C19H13ClFN3O7S/c20-13-7-12(11-22)8-15(9-13)30-16-2-1-14(31-32(21,27)28)10-17(16)29-6-5-24-4-3-18(25)23-19(24)26/h1-4,7-10H,5-6H2,(H,23,25,26) |
| InChIKey: | RUICQBSNQUGNNJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | N#Cc3cc(Oc1c(cc(cc1)OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)cc(c3)Cl | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C#N | | CACTVS 3.385 | F[S](=O)(=O)Oc1ccc(Oc2cc(Cl)cc(c2)C#N)c(OCCN3C=CC(=O)NC3=O)c1 |
|
| Name: | 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
| ChEMBL: | CHEMBL4749553 |
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