| PDB CCD ID: | A1AIJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H16 N2 O2 S |
| InChI: | InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24) |
| InChIKey: | YYBOLPLTQDKXPM-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(O)C(C)(C)Sc1ccncc1c1ccc(C#N)c2ccccc12 | | OpenEye OEToolkits 2.0.7 | CC(C)(C(=O)O)Sc1ccncc1c2ccc(c3c2cccc3)C#N | | CACTVS 3.385 | CC(C)(Sc1ccncc1c2ccc(C#N)c3ccccc23)C(O)=O |
|
| Name: | verinurad;
2-{[(3P)-3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl}-2-methylpropanoic acid |
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