basic_info |
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| Product_Name: | 8-(4-CHLORO-BUTYLSULFANYL)-3-METHYL-7-PHENETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| EnglishSynonyms: | 8-(4-CHLORO-BUTYLSULFANYL)-3-METHYL-7-PHENETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD01142778 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | Cn1c2c(c(=O)[nH]c1=O)n(c(n2)SCCCCCl)CCc3ccccc3 |
| InChi: | InChI=1S/C18H21ClN4O2S/c1-22-15-14(16(24)21-17(22)25)23(11-9-13-7-3-2-4-8-13)18(20-15)26-12-6-5-10-19/h2-4,7-8H,5-6,9-12H2,1H3,(H,21,24,25) |
| InChiKey: | InChIKey=VAPLSLMMCSGCSD-UHFFFAOYSA-N |
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