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  1. NE 52-QQ57
    CAS号 : 1401728-56-0        Compound CID : 68379135
    分子式: C24H28N6O        分子量: 416.52
    IUPAC Name: 2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole
    SMILES: CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C4=NN=C(O4)C5CCNCC5)C)C
    InChIKey: HXPQWNPLNIEJOW-UHFFFAOYSA-N
    InChI: InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3
  2. Teriflunomide
    CAS号 : 108605-62-5        Compound CID : 54684141
    分子式: C12H9F3N2O2        分子量: 270.21
    IUPAC Name: (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
    SMILES: CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O
    InChIKey: UTNUDOFZCWSZMS-YFHOEESVSA-N
    InChI: InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
  3. NE 52-QQ57
    CAS号 : 1401728-56-0        Compound CID : 68379135
    分子式: C24H28N6O        分子量: 416.52
    IUPAC Name: 2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole
    SMILES: CCC1=NN2C(=CC(=NC2=C1CC3=CC=C(C=C3)C4=NN=C(O4)C5CCNCC5)C)C
    InChIKey: HXPQWNPLNIEJOW-UHFFFAOYSA-N
    InChI: InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3
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