
 UNII-GLZ1WA47Q8

 58 61  0  0  0  0  0  0  0  0999 V2000
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    2.9998    1.1020    0.8324 C   0  0  0  0  0
    5.0284    2.3169    0.5694 N   0  0  0  0  0
    6.4667    2.5287    0.4761 C   0  0  0  0  0
    6.9192    2.6611   -0.9917 C   0  0  0  0  0
    8.3676    2.9145   -1.0917 N   0  0  0  0  0
    8.8559    2.8572   -2.4842 C   0  0  0  0  0
    8.3078    3.9812   -3.3757 C   0  0  0  0  0
    8.8867    5.3334   -2.9818 C   0  0  0  0  0
   10.3129    5.3055   -3.0654 O   0  0  0  0  0
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    4.7202   -3.7622   -0.0085 C   0  0  0  0  0
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    3.8467   -4.2656   -0.9908 C   0  0  0  0  0
    3.1854   -3.2710   -2.2505 Cl  0  0  0  0  0
    3.7841   -7.8498   -0.0216 O   0  0  0  0  0
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    6.3139   -4.1763    2.2051 Cl  0  0  0  0  0
    0.4295    0.8112    1.2081 H   0  0  0  0  0
    0.6005   -0.7673    2.0132 H   0  0  0  0  0
    0.3033   -0.6858    0.2590 H   0  0  0  0  0
    2.4302    1.9963    1.0411 H   0  0  0  0  0
    4.4859    3.1549    0.7555 H   0  0  0  0  0
    7.0219    1.7483    1.0070 H   0  0  0  0  0
    6.6999    3.4639    1.0003 H   0  0  0  0  0
    6.3618    3.4911   -1.4393 H   0  0  0  0  0
    6.6541    1.7549   -1.5469 H   0  0  0  0  0
    8.8397    2.1795   -0.5592 H   0  0  0  0  0
    8.5749    1.8867   -2.9126 H   0  0  0  0  0
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M  END

>  <Chemical Name>
UNII-GLZ1WA47Q8

>  <PubChem CID>
9869041

>  <Formula>
C22H27Cl2N5O2

>  <Molecular Weight>
464.391000

>  <IUPAC Name>
N'-[3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(oxan-4-yl)ethane-1,2-diamine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C(=NN2C(=C1)NCCNC3CCOCC3)C)C4=C(C=C(C=C4Cl)OC)Cl

>  <Isomeric SMILES>
CC1=NC2=C(C(=NN2C(=C1)NCCNC3CCOCC3)C)C4=C(C=C(C=C4Cl)OC)Cl

>  <InChI Std. ID>
InChI=1S/C22H27Cl2N5O2/c1-13-10-19(26-7-6-25-15-4-8-31-9-5-15)29-22(27-13)20(14(2)28-29)21-17(23)11-16(30-3)12-18(21)24/h10-12,15,25-26H,4-9H2,1-3H3

>  <InChI Key>
CVABPTLRAQIZJU-UHFFFAOYSA-N

