basic_info |
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| Product_Name: | 3-[(1E)-2-[6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL]ETHENYL]-4-METHYL-N-[3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(BENZAMIDE |
| CAS: | 926922-16-9 |
| EnglishSynonyms: | 3-[(1E)-2-[6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL]ETHENYL]-4-METHYL-N-[3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(BENZAMIDE ; BENZAMIDE, 3-[(1E)-2-[6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL]ETHENYL]-4-METHYL-N-[3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL]- |
| pro_mdlNumber: | MFCD16038947 |
| pro_acceptors: | 9 |
| pro_donors: | 2 |
| pro_smile: | Cc1cccc2c1ncn2c3cc(cc(c3)NC(=O)c4ccc(c(c4)/C=C/n5cnc6c5ncnc6NC7CC7)C)C(F)(F)F |
| InChi: | InChI=1S/C33H27F3N8O/c1-19-6-7-22(12-21(19)10-11-43-17-39-29-30(41-24-8-9-24)37-16-38-31(29)43)32(45)42-25-13-23(33(34,35)36)14-26(15-25)44-18-40-28-20(2)4-3-5-27(28)44/h3-7,10-18,24H,8-9H2,1-2H3,(H,42,45)(H,37,38,41)/b11-10+ |
| InChiKey: | InChIKey=XZUHTBDJOPUSRX-ZHACJKMWSA-N |
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