basic_info |
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| Product_Name: | 8-((2-CL-6-FLUOROBENZYL)THIO)-7-DODECYL-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| EnglishSynonyms: | 8-((2-CL-6-FLUOROBENZYL)THIO)-7-DODECYL-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD02984027 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | CCCCCCCCCCCCn1c2c(=O)[nH]c(=O)n(c2nc1SCc3c(cccc3Cl)F)C |
| InChi: | InChI=1S/C25H34ClFN4O2S/c1-3-4-5-6-7-8-9-10-11-12-16-31-21-22(30(2)24(33)29-23(21)32)28-25(31)34-17-18-19(26)14-13-15-20(18)27/h13-15H,3-12,16-17H2,1-2H3,(H,29,32,33) |
| InChiKey: | InChIKey=PVVXFRPBVLCDDH-UHFFFAOYSA-N |
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