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SMILES: C12CC3CC(C1)(CC(C2)C3)c1nnc(s1)N Canonical SMILES: Nc1nnc(s1)C12CC3CC(C2)CC(C1)C3 InChI: InChI=1S/C12H17N3S/c13-11-15-14-10(16-11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H2,13,15) InChIKey: FBIPRWDBYYCKHA-UHFFFAOYSA-N
CBID:12580 http://www.chembase.cn/molecule-12580.html