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SMILES: c1(c2c(ncn1)cccc2)NC(C(=O)O)CCC Canonical SMILES: CCCC(C(=O)O)Nc1ncnc2c1cccc2 InChI: InChI=1S/C13H15N3O2/c1-2-5-11(13(17)18)16-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,17,18)(H,14,15,16) InChIKey: QNGCVTKJHOBMQR-UHFFFAOYSA-N
CBID:312003 http://www.chembase.cn/molecule-312003.html