
 CHEMBL1650169

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.7339    0.2965   -2.2727 C   0  0  0  0  0
    2.4097    0.2666   -0.8051 C   0  0  0  0  0
    1.2499    0.0836   -0.4246 O   0  0  0  0  0
    3.3820    0.4384    0.1232 N   0  0  0  0  0
    4.7404    0.6577   -0.0271 C   0  0  0  0  0
    5.3071    0.7196   -1.2308 N   0  0  0  0  0
    6.6351    0.9551   -1.2756 C   0  0  0  0  0
    7.3937    1.0926   -0.1307 C   0  0  0  0  0
    6.7329    1.0063    1.0765 C   0  0  0  0  0
    5.4020    0.7758    1.1308 N   0  0  0  0  0
    7.4207    1.0849    2.3860 C   0  0  0  0  0
    8.4766    1.9826    2.6653 C   0  0  0  0  0
    9.0799    1.9879    3.9330 C   0  0  0  0  0
    8.6832    1.0906    4.9270 C   0  0  0  0  0
    7.6425    0.2065    4.6711 C   0  0  0  0  0
    7.0196    0.2111    3.4188 C   0  0  0  0  0
    9.3656    1.1980    6.1071 O   0  0  0  0  0
    9.3023    0.0725    6.9743 C   0  0  0  0  0
    8.8330    2.8614    1.6707 O   0  0  0  0  0
   10.1360    3.4297    1.7504 C   0  0  0  0  0
    7.2470    1.0098   -2.6135 C   0  0  0  0  0
    6.8318    1.9268   -3.5974 C   0  0  0  0  0
    7.4761    1.9715   -4.8421 C   0  0  0  0  0
    8.5077    1.0824   -5.1493 C   0  0  0  0  0
    8.9168    0.1590   -4.1944 C   0  0  0  0  0
    8.2949    0.1259   -2.9398 C   0  0  0  0  0
    9.0426    1.2337   -6.3980 O   0  0  0  0  0
    9.9054    0.1993   -6.8535 C   0  0  0  0  0
    5.8478    2.8267   -3.2637 O   0  0  0  0  0
    4.8935    3.0567   -4.2978 C   0  0  0  0  0
    3.1337    1.2738   -2.5526 H   0  0  0  0  0
    1.8149    0.1349   -2.8459 H   0  0  0  0  0
    3.4319   -0.5051   -2.5279 H   0  0  0  0  0
    3.0790    0.4147    1.0838 H   0  0  0  0  0
    8.4617    1.2557   -0.1870 H   0  0  0  0  0
    9.8661    2.6939    4.1812 H   0  0  0  0  0
    7.2771   -0.4847    5.4228 H   0  0  0  0  0
    6.2021   -0.4886    3.2451 H   0  0  0  0  0
    9.9868    0.2540    7.8085 H   0  0  0  0  0
    9.6341   -0.8388    6.4621 H   0  0  0  0  0
    8.2974   -0.0525    7.3920 H   0  0  0  0  0
   10.3467    3.9120    0.7904 H   0  0  0  0  0
   10.8996    2.6612    1.9092 H   0  0  0  0  0
   10.1797    4.1993    2.5260 H   0  0  0  0  0
    7.1967    2.7124   -5.5850 H   0  0  0  0  0
    9.7261   -0.5413   -4.3813 H   0  0  0  0  0
    8.6345   -0.6085   -2.2108 H   0  0  0  0  0
   10.1694    0.4171   -7.8933 H   0  0  0  0  0
    9.4006   -0.7733   -6.8343 H   0  0  0  0  0
   10.8332    0.1748   -6.2736 H   0  0  0  0  0
    3.9944    3.4738   -3.8353 H   0  0  0  0  0
    4.6075    2.1277   -4.8056 H   0  0  0  0  0
    5.2716    3.7917   -5.0142 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
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 15 16  2  0  0  0
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 19 20  1  0  0  0
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 21 22  2  0  0  0
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 22 23  1  0  0  0
 22 29  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
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 30 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1650169

>  <PubChem CID>
50940905

>  <Formula>
C22H23N3O5

>  <Molecular Weight>
409.442000

>  <IUPAC Name>
N-[4,6-bis(2,4-dimethoxyphenyl)pyrimidin-2-yl]acetamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(=O)NC1=NC(=CC(=N1)C2=C(C=C(C=C2)OC)OC)C3=C(C=C(C=C3)OC)OC

>  <Isomeric SMILES>
CC(=O)NC1=NC(=CC(=N1)C2=C(C=C(C=C2)OC)OC)C3=C(C=C(C=C3)OC)OC

>  <InChI Std. ID>
InChI=1S/C22H23N3O5/c1-13(26)23-22-24-18(16-8-6-14(27-2)10-20(16)29-4)12-19(25-22)17-9-7-15(28-3)11-21(17)30-5/h6-12H,1-5H3,(H,23,24,25,26)

>  <InChI Key>
AJOYXFQMIAFTSS-UHFFFAOYSA-N

