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SMILES: c12C(C(=O)O)NCCc2[nH]c(n1)/C=C/C(C)(C)C Canonical SMILES: OC(=O)C1NCCc2c1nc([nH]2)/C=C/C(C)(C)C InChI: InChI=1S/C13H19N3O2/c1-13(2,3)6-4-9-15-8-5-7-14-11(12(17)18)10(8)16-9/h4,6,11,14H,5,7H2,1-3H3,(H,15,16)(H,17,18)/b6-4+ InChIKey: CLUUEWFYSVKNNT-GQCTYLIASA-N
CBID:320601 http://www.chembase.cn/molecule-320601.html