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SMILES: c1(c2cc([nH]n2)C(=O)O)c(nn(c1C)CCC)C Canonical SMILES: CCCn1nc(c(c1C)c1n[nH]c(c1)C(=O)O)C InChI: InChI=1S/C12H16N4O2/c1-4-5-16-8(3)11(7(2)15-16)9-6-10(12(17)18)14-13-9/h6H,4-5H2,1-3H3,(H,13,14)(H,17,18) InChIKey: ZRHZHIOHCZQIBS-UHFFFAOYSA-N
CBID:31256 http://www.chembase.cn/molecule-31256.html