
 CHEMBL301574

 34 36  0  0  0  0  0  0  0  0999 V2000
    3.4153   -2.9806   -0.8437 C   0  0  0  0  0
    2.7118   -2.0461    0.1251 C   0  0  0  0  0
    2.9907   -0.6554   -0.1557 N   0  0  0  0  0
    2.2366    0.1778   -0.9375 C   0  0  0  0  0
    2.7558    1.3859   -1.0106 N   0  0  0  0  0
    3.8928    1.3279   -0.2250 C   0  0  0  0  0
    4.0551    0.0621    0.3136 C   0  0  0  0  0
    5.0485   -0.3651    1.1091 N   0  0  0  0  0
    5.9299    0.6269    1.3426 C   0  0  0  0  0
    5.9091    1.8954    0.8797 N   0  0  0  0  0
    4.8797    2.2856    0.0819 C   0  0  0  0  0
    4.8114    3.5880   -0.4230 N   0  0  0  0  0
    6.0868    4.2333   -0.7114 C   0  0  0  0  0
    6.7382    3.6781   -1.9779 C   0  0  0  0  0
    6.0174    4.3704   -3.1314 C   0  0  0  0  0
    5.4629    5.6756   -2.5634 C   0  0  0  0  0
    5.8503    5.6967   -1.0867 C   0  0  0  0  0
    3.1890   -4.0228   -0.5988 H   0  0  0  0  0
    4.5018   -2.8487   -0.8041 H   0  0  0  0  0
    3.0945   -2.7941   -1.8741 H   0  0  0  0  0
    3.0216   -2.2524    1.1554 H   0  0  0  0  0
    1.6267   -2.1874    0.0719 H   0  0  0  0  0
    1.3286   -0.1457   -1.4307 H   0  0  0  0  0
    6.7699    0.3748    1.9836 H   0  0  0  0  0
    4.1091    3.6333   -1.1595 H   0  0  0  0  0
    6.7578    4.1781    0.1534 H   0  0  0  0  0
    6.6859    2.5885   -2.0657 H   0  0  0  0  0
    7.7982    3.9604   -1.9961 H   0  0  0  0  0
    6.6934    4.5473   -3.9741 H   0  0  0  0  0
    5.1946    3.7454   -3.4978 H   0  0  0  0  0
    5.8612    6.5490   -3.0896 H   0  0  0  0  0
    4.3727    5.6967   -2.6744 H   0  0  0  0  0
    6.7848    6.2599   -0.9700 H   0  0  0  0  0
    5.0874    6.1851   -0.4719 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL301574

>  <PubChem CID>
15693948

>  <Formula>
C12H17N5

>  <Molecular Weight>
231.303000

>  <IUPAC Name>
N-cyclopentyl-9-ethylpurin-6-amine

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C=NC2=C1N=CN=C2NC3CCCC3

>  <Isomeric SMILES>
CCN1C=NC2=C1N=CN=C2NC3CCCC3

>  <InChI Std. ID>
InChI=1S/C12H17N5/c1-2-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16)

>  <InChI Key>
CDVHQRUOORNLKE-UHFFFAOYSA-N

