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  1. Bohemine
    CAS号 : 189232-42-6       
    分子式: C18H24N6O        分子量: 340.43
    IUPAC Name: 3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
    SMILES: CC(C)N1C=NC2=C(N=C(N=C21)NCCCO)NCC3=CC=CC=C3
    InChIKey: OPQGFIAVPSXOBO-UHFFFAOYSA-N
    InChI: InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
  2. CDKI-73
    CAS号 : 1421693-22-2       
    分子式: C15H15FN6O2S2        分子量: 394.45
    IUPAC Name: 3-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
    SMILES: CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N
    InChIKey: GAIOPWBQKZMUNO-UHFFFAOYSA-N
    InChI: InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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