basic_info |
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| Product_Name： | 7-(1,3-OXATHIOLAN-2-YLMETHYL)THEOPHYLLINE |
| CAS： | 128059-51-8 |
| EnglishSynonyms： | 7-(1,3-OXATHIOLAN-2-YLMETHYL)THEOPHYLLINE |
| pro_mdlNumber： | MFCD01694291 |
| pro_acceptors： | 7 |
| pro_donors： | 0 |
| pro_smile： | Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC3OCCS3 |
| InChi： | InChI=1S/C11H14N4O3S/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3 |
| InChiKey： | InChIKey=AFWMMKZFYAGZHJ-UHFFFAOYSA-N |
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