提示: 按住Ctrl键可以同时选择多个官能团
SMILES: o1c(nnc1N)c1cc(C#N)ccc1 Canonical SMILES: N#Cc1cccc(c1)c1nnc(o1)N InChI: InChI=1S/C9H6N4O/c10-5-6-2-1-3-7(4-6)8-12-13-9(11)14-8/h1-4H,(H2,11,13) InChIKey: NBSLHZOUTRJQPP-UHFFFAOYSA-N
CBID:117857 http://www.chembase.cn/molecule-117857.html