| PDB CCD ID: | X2V |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C23 H16 F N3 O7 S |
| InChI: | InChI=1S/C23H16FN3O7S/c24-35(30,31)34-17-5-7-20(21(13-17)32-11-10-27-9-8-22(28)26-23(27)29)33-19-3-1-2-16-12-15(14-25)4-6-18(16)19/h1-9,12-13H,10-11H2,(H,26,28,29) |
| InChIKey: | XVIQCYUMLUTRMI-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | F[S](=O)(=O)Oc1ccc(Oc2cccc3cc(ccc23)C#N)c(OCCN4C=CC(=O)NC4=O)c1 | | OpenEye OEToolkits 2.0.7 | c1cc2cc(ccc2c(c1)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)OS(=O)(=O)F)C#N | | ACDLabs 12.01 | c4(C#N)ccc1c(cccc1Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)OS(F)(=O)=O)c4 |
|
| Name: | 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
| ChEMBL: | CHEMBL4797524 |
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