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SMILES: Cn1c2c(c(=O)n(c1=O)C)nc[nH]2.Cn1c2c(c(=O)n(c1=O)C)nc[nH]2.C(CN)N.O Canonical SMILES: Cn1c(=O)n(C)c2c(c1=O)nc[nH]2.Cn1c(=O)n(C)c2c(c1=O)nc[nH]2.NCCN.O InChI: InChI=1S/2C7H8N4O2.C2H8N2.H2O/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4;/h2*3H,1-2H3,(H,8,9);1-4H2;1H2 InChIKey: FCDVEQMNVIBKAU-UHFFFAOYSA-N
CBID:156253 http://www.chembase.cn/molecule-156253.html