basic_info |
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| Product_Name： | S-((3,3-DIMETHYLBUTYL)THIO)THEOPHYLLINE |
| CAS： | 74039-73-9 |
| EnglishSynonyms： | S-((3,3-DIMETHYLBUTYL)THIO)THEOPHYLLINE |
| pro_mdlNumber： | MFCD01682294 |
| pro_acceptors： | 6 |
| pro_donors： | 1 |
| pro_smile： | CC(C)(C)CCSc1[nH]c2c(n1)n(c(=O)n(c2=O)C)C |
| InChi： | InChI=1S/C13H20N4O2S/c1-13(2,3)6-7-20-11-14-8-9(15-11)16(4)12(19)17(5)10(8)18/h6-7H2,1-5H3,(H,14,15) |
| InChiKey： | InChIKey=OQFWJOAZXUKWJO-UHFFFAOYSA-N |
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