
 CHEMBL1077155

 64 66  0  0  0  0  0  0  0  0999 V2000
    7.6934    3.7220    4.8935 C   0  0  0  0  0
    8.3810    3.3781    3.5837 C   0  0  0  0  0
    7.3744    3.0771    2.4710 C   0  0  0  0  0
    8.1062    2.6901    1.1871 C   0  0  0  0  0
    7.2081    2.4259    0.0597 N   0  0  0  0  0
    6.6889    1.0637   -0.0577 C   0  0  0  0  0
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    6.7606    3.3780   -0.8668 C   0  0  0  0  0
    6.0537    3.0637   -1.8215 O   0  0  0  0  0
    7.1050    4.7535   -0.6252 C   0  0  0  0  0
    6.2636    5.7980   -0.2752 C   0  0  0  0  0
    6.9866    6.9529   -0.0689 N   0  0  0  0  0
    8.2506    6.6280   -0.2349 C   0  0  0  0  0
    8.3190    5.3662   -0.7669 N   0  0  0  0  0
    9.5385    4.8745   -1.3539 C   0  0  0  0  0
   10.7010    5.2898   -0.4872 C   0  0  0  0  0
   10.6577    6.7582   -0.0909 C   0  0  0  0  0
   11.7282    7.2949    0.2104 O   0  0  0  0  0
    9.4036    7.3602    0.0317 N   0  0  0  0  0
    9.2572    8.7054    0.5059 C   0  0  0  0  0
    9.9222    9.7673   -0.1634 C   0  0  0  0  0
    9.8025   11.0867    0.3176 C   0  0  0  0  0
    8.9939   11.3921    1.4109 C   0  0  0  0  0
    8.3450   10.3512    2.0728 C   0  0  0  0  0
    8.4860    9.0107    1.6594 C   0  0  0  0  0
    7.8050    7.9805    2.5258 C   0  0  0  0  0
    8.8790   12.8007    1.9114 C   0  0  0  0  0
   10.7775    9.5799   -1.3912 C   0  0  0  0  0
    4.7921    5.7810   -0.0419 C   0  0  0  0  0
    3.9979    6.1201   -1.2915 C   0  0  0  0  0
    8.4387    3.9359    5.6663 H   0  0  0  0  0
    7.0748    2.8885    5.2415 H   0  0  0  0  0
    7.0553    4.6040    4.7827 H   0  0  0  0  0
    9.0338    2.5107    3.7398 H   0  0  0  0  0
    9.0238    4.2153    3.2854 H   0  0  0  0  0
    6.7413    3.9549    2.2977 H   0  0  0  0  0
    6.7088    2.2629    2.7806 H   0  0  0  0  0
    8.7159    1.7941    1.3525 H   0  0  0  0  0
    8.8056    3.4819    0.9236 H   0  0  0  0  0
    5.6904    1.0859   -0.5090 H   0  0  0  0  0
    6.5711    0.6431    0.9468 H   0  0  0  0  0
    7.6992    0.5716   -1.9127 H   0  0  0  0  0
    7.1878   -0.8330   -0.9569 H   0  0  0  0  0
    8.5994    0.1167   -0.4595 H   0  0  0  0  0
    9.4874    3.7872   -1.4602 H   0  0  0  0  0
    9.6087    5.3193   -2.3533 H   0  0  0  0  0
   10.7243    4.7075    0.4412 H   0  0  0  0  0
   11.6366    5.1005   -1.0252 H   0  0  0  0  0
   10.3388   11.8893   -0.1863 H   0  0  0  0  0
    7.7324   10.5787    2.9445 H   0  0  0  0  0
    8.2829    6.9992    2.4605 H   0  0  0  0  0
    6.7465    7.8989    2.2616 H   0  0  0  0  0
    7.8632    8.2718    3.5805 H   0  0  0  0  0
    7.8718   12.9951    2.2950 H   0  0  0  0  0
    9.0643   13.5209    1.1075 H   0  0  0  0  0
    9.6043   12.9738    2.7123 H   0  0  0  0  0
   10.4534    8.7254   -1.9921 H   0  0  0  0  0
   11.8266    9.4548   -1.1062 H   0  0  0  0  0
   10.7093   10.4556   -2.0462 H   0  0  0  0  0
    4.5462    6.5008    0.7481 H   0  0  0  0  0
    4.4858    4.7960    0.3292 H   0  0  0  0  0
    4.2529    7.1179   -1.6636 H   0  0  0  0  0
    2.9251    6.1017   -1.0743 H   0  0  0  0  0
    4.1941    5.4015   -2.0944 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  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
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 23 24  1  0  0  0
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 28 59  1  0  0  0
 29 30  1  0  0  0
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 30 62  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1077155

>  <PubChem CID>
46881396

>  <Formula>
C24H34N4O2

>  <Molecular Weight>
410.562000

>  <IUPAC Name>
N-butyl-N,2-diethyl-7-oxo-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidine-3-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCN(CC)C(=O)C1=C(N=C2N1CCC(=O)N2C3=C(C=C(C=C3C)C)C)CC

>  <Isomeric SMILES>
CCCCN(CC)C(=O)C1=C(N=C2N1CCC(=O)N2C3=C(C=C(C=C3C)C)C)CC

>  <InChI Std. ID>
InChI=1S/C24H34N4O2/c1-7-10-12-26(9-3)23(30)22-19(8-2)25-24-27(22)13-11-20(29)28(24)21-17(5)14-16(4)15-18(21)6/h14-15H,7-13H2,1-6H3

>  <InChI Key>
ANNYOXHYWHWCPU-UHFFFAOYSA-N

