PDB CCD ID: | A1IJO |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H17 F3 N2 O5 |
InChI: | InChI=1S/C21H17F3N2O5/c1-12-13(4-3-5-17(12)21(22,23)24)10-26-18(27)16(19(28)29)11-25(20(26)30)14-6-8-15(31-2)9-7-14/h3-9,11H,10H2,1-2H3,(H,28,29) |
InChIKey: | WMYXGENPWOLFCF-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | Cc1c(cccc1C(F)(F)F)CN2C(=O)C(=CN(C2=O)c3ccc(cc3)OC)C(=O)O | CACTVS 3.385 | COc1ccc(cc1)N2C=C(C(O)=O)C(=O)N(Cc3cccc(c3C)C(F)(F)F)C2=O |
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Name: | 1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid |