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SMILES: O(C(CO)CO)Cn1c2[nH]c(nc(=O)c2nc1)N Canonical SMILES: OCC(OCn1cnc2c1[nH]c(N)nc2=O)CO InChI: InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17) InChIKey: IRSCQMHQWWYFCW-UHFFFAOYSA-N
CBID:877 http://www.chembase.cn/molecule-877.html