basic_info |
|
| Product_Name： | BUTTPARK 59\40-52 |
| EnglishSynonyms： | BUTTPARK 59\40-52 |
| pro_mdlNumber： | MFCD04035890 |
| pro_acceptors： | 9 |
| pro_donors： | 0 |
| pro_smile： | c1cc(oc1)/C=N/n2c(nnc2SCc3ccc(cc3)[N+](=O)[O-])c4ccncc4 |
| InChi： | InChI=1S/C19H14N6O3S/c26-25(27)16-5-3-14(4-6-16)13-29-19-23-22-18(15-7-9-20-10-8-15)24(19)21-12-17-2-1-11-28-17/h1-12H,13H2/b21-12+ |
| InChiKey： | InChIKey=JRLDKLOBHQOCOP-CIAFOILYSA-N |
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