basic_info |
|
| Product_Name： | AURORA 13117 |
| EnglishSynonyms： | AURORA 13117 |
| pro_mdlNumber： | MFCD02332324 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | CCOC(=O)C1=C(C)N=C(N\N=C\C2=CC(Cl)=CC=C2)S1 |
| InChi： | InChI=1S/C14H14ClN3O2S/c1-3-20-13(19)12-9(2)17-14(21-12)18-16-8-10-5-4-6-11(15)7-10/h4-8H,3H2,1-2H3,(H,17,18)/b16-8+ |
| InChiKey： | InChIKey=KJOPZWSOTUBGDI-LZYBPNLTSA-N |
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