basic_info |
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| Product_Name： | 8-ALLYLTHEOPHYLLINE |
| CAS： | 74039-62-6 |
| EnglishSynonyms： | 8-ALLYLTHEOPHYLLINE ; 8-ALLYL-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| pro_mdlNumber： | MFCD01682368 |
| pro_acceptors： | 6 |
| pro_donors： | 1 |
| pro_smile： | Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CC=C |
| InChi： | InChI=1S/C10H12N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4H,1,5H2,2-3H3,(H,11,12) |
| InChiKey： | InChIKey=SUFDPQNULQXJTM-UHFFFAOYSA-N |
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