basic_info |
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| Product_Name: | 9-氧杂二环[6.1.0]壬-3-炔 |
| CAS: | 74671-14-0 |
| 中文同义词: | 9-氧杂二环[6.1.0]壬-3-炔 |
| EnglishSynonyms: | 1H-PYRROLE-2-CARBOXAMIDE, 4-(((4-((((AMINOIMINOMETHYL)AMINO)ACETYL)AMI NO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-N-(5-(((2-CYANOETHYL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)-1-METHYL-, MONOHYDROCHLORIDE |
| pro_mdlNumber: | MFCD01688595 |
| pro_acceptors: | 15 |
| pro_donors: | 7 |
| pro_smile: | Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC#N)NC(=O)CNC(=N)N.Cl |
| InChi: | InChI=1S/C24H29N11O4.ClH/c1-33-12-15(8-17(33)21(37)28-6-4-5-25)31-23(39)19-9-16(13-35(19)3)32-22(38)18-7-14(11-34(18)2)30-20(36)10-29-24(26)27;/h7-9,11-13H,4,6,10H2,1-3H3,(H,28,37)(H,30,36)(H,31,39)(H,32,38)(H4,26,27,29);1H |
| InChiKey: | InChIKey=IKRXGGOQPXPEGU-UHFFFAOYSA-N |
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