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SMILES: C1(C(CC/C/1=C\c1ccc(cc1)Cl)(C)C)(O)Cn1ncnc1 Canonical SMILES: OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C InChI: InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+ InChIKey: PPDBOQMNKNNODG-NTEUORMPSA-N
CBID:798680 http://www.chembase.cn/molecule-798680.html