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SMILES: [nH]1c(nc(c1)C=O)CC Canonical SMILES: CCc1[nH]cc(n1)C=O InChI: InChI=1S/C6H8N2O/c1-2-6-7-3-5(4-9)8-6/h3-4H,2H2,1H3,(H,7,8) InChIKey: QXWHYVOBYWYFHA-UHFFFAOYSA-N
CBID:798384 http://www.chembase.cn/molecule-798384.html