basic_info |
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| Product_Name: | 7-BENZYL-8-((4-CHLOROBENZYL)THIO)-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| EnglishSynonyms: | 7-BENZYL-8-((4-CHLOROBENZYL)THIO)-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD01949450 |
| pro_acceptors: | 6 |
| pro_donors: | 0 |
| pro_smile: | Cn1c2c(c(=O)n(c1=O)C)n(c(n2)SCc3ccc(cc3)Cl)Cc4ccccc4 |
| InChi: | InChI=1S/C21H19ClN4O2S/c1-24-18-17(19(27)25(2)21(24)28)26(12-14-6-4-3-5-7-14)20(23-18)29-13-15-8-10-16(22)11-9-15/h3-11H,12-13H2,1-2H3 |
| InChiKey: | InChIKey=WANSWYMFMBQDHX-UHFFFAOYSA-N |
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