
 AM-0902

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.9569    4.5803    5.0315 C   0  0  0  0  0
    1.5086    5.4903    4.0087 N   0  0  0  0  0
    0.5237    6.4309    4.1395 C   0  0  0  0  0
    0.3593    7.1186    3.0282 N   0  0  0  0  0
    1.2722    6.6012    2.1597 C   0  0  0  0  0
    1.9905    5.5893    2.7355 C   0  0  0  0  0
    3.0109    4.8709    2.0568 C   0  0  0  0  0
    3.6626    3.9621    2.5611 O   0  0  0  0  0
    3.1858    5.3170    0.7547 N   0  0  0  0  0
    2.4348    6.3662    0.2463 C   0  0  0  0  0
    1.4944    7.0219    0.8497 N   0  0  0  0  0
    4.2393    4.7200   -0.0482 C   0  0  0  0  0
    5.4985    5.4812    0.1498 C   0  0  0  0  0
    5.8627    6.6410   -0.3532 N   0  0  0  0  0
    7.0888    6.8315    0.2325 C   0  0  0  0  0
    7.4878    5.8416    1.0414 N   0  0  0  0  0
    6.4253    4.9383    0.9907 O   0  0  0  0  0
    7.9099    8.0420   -0.0103 C   0  0  0  0  0
    9.0514    7.7685   -0.9898 C   0  0  0  0  0
    9.8777    9.0059   -1.2443 C   0  0  0  0  0
   10.9751    9.3065   -0.4250 C   0  0  0  0  0
   11.7280   10.4615   -0.6483 C   0  0  0  0  0
   11.3839   11.3220   -1.6882 C   0  0  0  0  0
   10.2921   11.0389   -2.5058 C   0  0  0  0  0
    9.5387    9.8842   -2.2830 C   0  0  0  0  0
   12.3115   12.7448   -1.9632 Cl  0  0  0  0  0
    1.3918    4.7566    5.9504 H   0  0  0  0  0
    3.0199    4.7577    5.2140 H   0  0  0  0  0
    1.7888    3.5575    4.6853 H   0  0  0  0  0
   -0.0360    6.5767    5.0548 H   0  0  0  0  0
    2.6917    6.6378   -0.7913 H   0  0  0  0  0
    3.9543    4.7622   -1.1055 H   0  0  0  0  0
    4.3743    3.6671    0.2214 H   0  0  0  0  0
    8.3082    8.4081    0.9446 H   0  0  0  0  0
    7.2657    8.8407   -0.3996 H   0  0  0  0  0
    8.6555    7.3922   -1.9424 H   0  0  0  0  0
    9.7029    6.9711   -0.6083 H   0  0  0  0  0
   11.2518    8.6426    0.3918 H   0  0  0  0  0
   12.5782   10.6832   -0.0088 H   0  0  0  0  0
   10.0220   11.7113   -3.3155 H   0  0  0  0  0
    8.6862    9.6749   -2.9262 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
AM-0902

>  <PubChem CID>
73297271

>  <Formula>
C17H15ClN6O2

>  <Molecular Weight>
370.797000

>  <IUPAC Name>
1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C=NC2=C1C(=O)N(C=N2)CC3=NC(=NO3)CCC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CN1C=NC2=C1C(=O)N(C=N2)CC3=NC(=NO3)CCC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3

>  <InChI Key>
AWJBWNUUODWOKQ-UHFFFAOYSA-N

