basic_info |
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| Product_Name： | 8-(3-CYCLOHEXEN-1-YL)THEOPHYLLINE |
| CAS： | 74039-68-2 |
| EnglishSynonyms： | 8-(3-CYCLOHEXEN-1-YL)THEOPHYLLINE |
| pro_mdlNumber： | MFCD01682321 |
| pro_acceptors： | 6 |
| pro_donors： | 1 |
| pro_smile： | Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)C3CCC=CC3 |
| InChi： | InChI=1S/C13H16N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-4,8H,5-7H2,1-2H3,(H,14,15) |
| InChiKey： | InChIKey=VUVQIGQQUJUTRY-UHFFFAOYSA-N |
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