basic_info |
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| Product_Name: | 1H-吲哚-1-胺,N-(4,5-二氢-1H-咪唑-2-基)-2,3-二氢-N,4-二甲基- |
| CAS: | 84936-80-1 |
| 中文同义词: | 1H-吲哚-1-胺,N-(4,5-二氢-1H-咪唑-2-基)-2,3-二氢-N,4-二甲基- |
| EnglishSynonyms: | 2-AMINO-N-(8-(O-FLUOROBENZYL)-3-BETA-NORTROPANYL)-4-METHOXY-5-PYRIMIDI NECARBOXAMIDE |
| pro_mdlNumber: | MFCD01689792 |
| pro_acceptors: | 7 |
| pro_donors: | 2 |
| pro_smile: | COc1c(cnc(n1)N)C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc4ccccc4F.C(=C\C(=O)O)\C(=O)O |
| InChi: | InChI=1S/C20H24FN5O2.C4H4O4/c1-28-19-16(10-23-20(22)25-19)18(27)24-13-8-14-6-7-15(9-13)26(14)11-12-4-2-3-5-17(12)21;5-3(6)1-2-4(7)8/h2-5,10,13-15H,6-9,11H2,1H3,(H,24,27)(H2,22,23,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14-,15+; |
| InChiKey: | InChIKey=IBIXHNRJABDIHP-ZCNZKAKTSA-N |
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