basic_info |
|
| Product_Name： | DM-PIT-1 |
| CAS： | 701947-53-7 |
| EnglishSynonyms： | DM-PIT-1 ; N-([(2-HYDROXY-5-NITROPHENYL)AMINO]CARBONOTHIOYL)-3,5-DIMETHYLBENZAMIDE |
| pro_mdlNumber： | MFCD05129220 |
| pro_acceptors： | 7 |
| pro_donors： | 3 |
| pro_smile： | Cc1cc(cc(c1)C(=O)NC(=S)Nc2cc(ccc2O)[N+](=O)[O-])C |
| InChi： | InChI=1S/C16H15N3O4S/c1-9-5-10(2)7-11(6-9)15(21)18-16(24)17-13-8-12(19(22)23)3-4-14(13)20/h3-8,20H,1-2H3,(H2,17,18,21,24) |
| InChiKey： | InChIKey=CGWBCAQMXJFWBU-UHFFFAOYSA-N |
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