basic_info |
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| Product_Name： | 7-(4-(6-CHLORONICOTINAMIDO)BUTYL)THEOPHYLLINE |
| CAS： | 70454-37-4 |
| EnglishSynonyms： | 7-(4-(6-CHLORONICOTINAMIDO)BUTYL)THEOPHYLLINE |
| pro_mdlNumber： | MFCD01682316 |
| pro_acceptors： | 9 |
| pro_donors： | 1 |
| pro_smile： | Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCCNC(=O)c3ccc(nc3)Cl |
| InChi： | InChI=1S/C17H19ClN6O3/c1-22-14-13(16(26)23(2)17(22)27)24(10-21-14)8-4-3-7-19-15(25)11-5-6-12(18)20-9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,25) |
| InChiKey： | InChIKey=IFNZWKGWQUPUOR-UHFFFAOYSA-N |
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