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SMILES: n12c(ncn2)[nH]c(cc1=O)CCl Canonical SMILES: ClCc1cc(=O)n2c([nH]1)ncn2 InChI: InChI=1S/C6H5ClN4O/c7-2-4-1-5(12)11-6(10-4)8-3-9-11/h1,3H,2H2,(H,8,9,10) InChIKey: REKKULOPBIULTE-UHFFFAOYSA-N
CBID:123595 http://www.chembase.cn/molecule-123595.html