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SMILES: N1=C(c2c(ccc(c2)Br)O)CC(N1)c1cnccc1 Canonical SMILES: Brc1ccc(c(c1)C1=NNC(C1)c1cccnc1)O InChI: InChI=1S/C14H12BrN3O/c15-10-3-4-14(19)11(6-10)13-7-12(17-18-13)9-2-1-5-16-8-9/h1-6,8,12,17,19H,7H2 InChIKey: HBUPYBHSCCVWQN-UHFFFAOYSA-N
CBID:311850 http://www.chembase.cn/molecule-311850.html