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  1. 伯舒替尼 (SKI-606)
    CAS号 : 380843-75-4        Compound CID : 5328940
    分子式: C26H29Cl2N5O3        分子量: 530.45
    IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
    SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
    InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N
    InChI: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
  2. LIT-927
    CAS号 : 2172879-52-4        Compound CID : 137287575
    分子式: C17H13ClN2O3        分子量: 328.75
    IUPAC Name: 6-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one
    SMILES: COC1=C(C=CC(=C1)C2=NC(=O)NC(=C2)C3=CC=C(C=C3)Cl)O
    InChIKey: BYYRNPIGDRRGLJ-UHFFFAOYSA-N
    InChI: InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22)
  3. LIT-927
    CAS号 : 2172879-52-4        Compound CID : 137287575
    分子式: C17H13ClN2O3        分子量: 328.75
    IUPAC Name: 6-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one
    SMILES: COC1=C(C=CC(=C1)C2=NC(=O)NC(=C2)C3=CC=C(C=C3)Cl)O
    InChIKey: BYYRNPIGDRRGLJ-UHFFFAOYSA-N
    InChI: InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22)
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