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SMILES: C(=O)(c1ncncc1)O Canonical SMILES: OC(=O)c1ccncn1 InChI: InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9) InChIKey: YPOXGDJGKBXRFP-UHFFFAOYSA-N
CBID:42604 http://www.chembase.cn/molecule-42604.html