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SMILES: N1([C@H]2[C@@H]([C@H](C1)c1cc(OC)ccc1)N1CCC2CC1)Cc1nc(sc1)NC Canonical SMILES: CNc1scc(n1)CN1C[C@@H]([C@@H]2[C@H]1C1CCN2CC1)c1cccc(c1)OC InChI: InChI=1S/C21H28N4OS/c1-22-21-23-16(13-27-21)11-25-12-18(15-4-3-5-17(10-15)26-2)20-19(25)14-6-8-24(20)9-7-14/h3-5,10,13-14,18-20H,6-9,11-12H2,1-2H3,(H,22,23)/t18-,19-,20-/m1/s1 InChIKey: KKKUVWVFRLBECZ-VAMGGRTRSA-N
CBID:320249 http://www.chembase.cn/molecule-320249.html