basic_info |
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| Product_Name: | 8-(2-CHLORO-BENZYLSULFANYL)-3-METHYL-7-PHENETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| EnglishSynonyms: | 8-(2-CHLORO-BENZYLSULFANYL)-3-METHYL-7-PHENETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD01142759 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | Cn1c2c(c(=O)[nH]c1=O)n(c(n2)SCc3ccccc3Cl)CCc4ccccc4 |
| InChi: | InChI=1S/C21H19ClN4O2S/c1-25-18-17(19(27)24-20(25)28)26(12-11-14-7-3-2-4-8-14)21(23-18)29-13-15-9-5-6-10-16(15)22/h2-10H,11-13H2,1H3,(H,24,27,28) |
| InChiKey: | InChIKey=UUHOKBCMHLMXRK-UHFFFAOYSA-N |
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