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SMILES: n1cnc2NC(=O)Cc2c1Cl Canonical SMILES: O=C1Nc2c(C1)c(Cl)ncn2 InChI: InChI=1S/C6H4ClN3O/c7-5-3-1-4(11)10-6(3)9-2-8-5/h2H,1H2,(H,8,9,10,11) InChIKey: PKKYYNMRPXEIFE-UHFFFAOYSA-N
CBID:63112 http://www.chembase.cn/molecule-63112.html