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  1. 伊马替尼
    CAS号 : 152459-95-5        Compound CID : 5291
    分子式: C29H31N7O        分子量: 493.6
    IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
    InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N
    InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
  2. 氯喹
    CAS号 : 54-05-7        Compound CID : 2719
    分子式: C18H26ClN3        分子量: 319.87
    IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
    SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
    InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N
    InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
  3. 1,1-二甲基双胍
    CAS号 : 657-24-9        Compound CID : 4091
    分子式: C4H11N5        分子量: 129.16
    IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine
    SMILES: CN(C)C(=N)N=C(N)N
    InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N
    InChI: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
  4. 1,1-二甲基双胍
    CAS号 : 657-24-9        Compound CID : 4091
    分子式: C4H11N5        分子量: 129.16
    IUPAC Name: 3-(diaminomethylidene)-1,1-dimethylguanidine
    SMILES: CN(C)C(=N)N=C(N)N
    InChIKey: XZWYZXLIPXDOLR-UHFFFAOYSA-N
    InChI: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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