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SMILES: c1(n2cnnn2)ccc(cc1)OCC(=O)O Canonical SMILES: OC(=O)COc1ccc(cc1)n1cnnn1 InChI: InChI=1S/C9H8N4O3/c14-9(15)5-16-8-3-1-7(2-4-8)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15) InChIKey: LFHALYQHTJOQOT-UHFFFAOYSA-N
CBID:17090 http://www.chembase.cn/molecule-17090.html