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SMILES: COC(=O)c1cn2ccnc2c(Br)c1 Canonical SMILES: COC(=O)c1cc(Br)c2n(c1)ccn2 InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)6-4-7(10)8-11-2-3-12(8)5-6/h2-5H,1H3 InChIKey: VTHOGJZDIFHAIX-UHFFFAOYSA-N
CBID:63445 http://www.chembase.cn/molecule-63445.html