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SMILES: n1c(nc2c(c1)ncn2CCC(COC(=O)C)CO)N Canonical SMILES: OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C InChI: InChI=1S/C12H17N5O3/c1-8(19)20-6-9(5-18)2-3-17-7-15-10-4-14-12(13)16-11(10)17/h4,7,9,18H,2-3,5-6H2,1H3,(H2,13,14,16) InChIKey: OUMGIMAEASXOJH-UHFFFAOYSA-N
CBID:166125 http://www.chembase.cn/molecule-166125.html