basic_info |
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| Product_Name: | 3-[5-ETHYL-2-(4-METHOXY-PHENYL)-6-METHYL-PYRIMIDIN-4-YLAMINO]-BENZOIC ACID |
| EnglishSynonyms: | 3-[5-ETHYL-2-(4-METHOXY-PHENYL)-6-METHYL-PYRIMIDIN-4-YLAMINO]-BENZOIC ACID |
| pro_mdlNumber: | MFCD16812039 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | CCc1c(nc(nc1Nc2cccc(c2)C(=O)O)c3ccc(cc3)OC)C |
| InChi: | InChI=1S/C21H21N3O3/c1-4-18-13(2)22-19(14-8-10-17(27-3)11-9-14)24-20(18)23-16-7-5-6-15(12-16)21(25)26/h5-12H,4H2,1-3H3,(H,25,26)(H,22,23,24) |
| InChiKey: | InChIKey=DAAKOOGQSRVJQF-UHFFFAOYSA-N |
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