basic_info |
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| Product_Name: | 7-(3-BR-BENZYL)-8-(4-CHLORO-BUTYLSULFANYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| EnglishSynonyms: | 7-(3-BR-BENZYL)-8-(4-CHLORO-BUTYLSULFANYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD01079267 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | Cn1c2c(c(=O)[nH]c1=O)n(c(n2)SCCCCCl)Cc3cccc(c3)Br |
| InChi: | InChI=1S/C17H18BrClN4O2S/c1-22-14-13(15(24)21-16(22)25)23(10-11-5-4-6-12(18)9-11)17(20-14)26-8-3-2-7-19/h4-6,9H,2-3,7-8,10H2,1H3,(H,21,24,25) |
| InChiKey: | InChIKey=QHKIEYSZJOISBX-UHFFFAOYSA-N |
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