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SMILES: O=C(c1ncc(C)cn1)O Canonical SMILES: OC(=O)c1ncc(cn1)C InChI: InChI=1S/C6H6N2O2/c1-4-2-7-5(6(9)10)8-3-4/h2-3H,1H3,(H,9,10) InChIKey: BADCKQUVPNDPJZ-UHFFFAOYSA-N
CBID:294332 http://www.chembase.cn/molecule-294332.html