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SMILES: n1(c(nnc1S)C(C)C)CC Canonical SMILES: CCn1c(S)nnc1C(C)C InChI: InChI=1S/C7H13N3S/c1-4-10-6(5(2)3)8-9-7(10)11/h5H,4H2,1-3H3,(H,9,11) InChIKey: COUIQWQZEOIERG-UHFFFAOYSA-N
CBID:27725 http://www.chembase.cn/molecule-27725.html