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SMILES: C1CC(=O)N(C1=O)OC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N=C(N2)N.Br Canonical SMILES: O=C(ON1C(=O)CCC1=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=N2)N.Br InChI: InChI=1S/C14H20N4O4S.BrH/c15-14-16-8-7-23-9(13(8)17-14)3-1-2-4-12(21)22-18-10(19)5-6-11(18)20;/h8-9,13H,1-7H2,(H3,15,16,17);1H/t8-,9-,13-;/m0./s1 InChIKey: AOQVRPXBTSXMRA-UYNHQEOZSA-N
CBID:131510 http://www.chembase.cn/molecule-131510.html