basic_info |
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| Product_Name： | 3,8-DIMETHYL XANTHINE |
| CAS： | 82448-39-3 |
| EnglishSynonyms： | 3,8-DIMETHYL XANTHINE ; 3,8-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| pro_mdlNumber： | MFCD01346714 |
| pro_acceptors： | 6 |
| pro_donors： | 2 |
| pro_smile： | Cc1[nH]c2c(=O)[nH]c(=O)n(c2n1)C |
| InChi： | InChI=1S/C7H8N4O2/c1-3-8-4-5(9-3)11(2)7(13)10-6(4)12/h1-2H3,(H,8,9)(H,10,12,13) |
| InChiKey： | InChIKey=PMVNCSJILAJACU-UHFFFAOYSA-N |
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