
 6-(4-methylpiperazin-1-yl)-9H-purine

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.7658   -0.1902   -0.1149 C   0  0  0  0  0
    2.1643    0.1878    0.0810 N   0  0  0  0  0
    3.0718   -0.9676   -0.1146 C   0  0  0  0  0
    3.2607   -1.4168   -1.5839 C   0  0  0  0  0
    3.6978   -0.2720   -2.4149 N   0  0  0  0  0
    2.7597    0.8681   -2.3165 C   0  0  0  0  0
    2.5657    1.2779   -0.8352 C   0  0  0  0  0
    3.8987   -0.6377   -3.7546 C   0  0  0  0  0
    3.3078   -1.7232   -4.3045 N   0  0  0  0  0
    3.5444   -2.0098   -5.6036 C   0  0  0  0  0
    4.3204   -1.3489   -6.4709 N   0  0  0  0  0
    4.9252   -0.2894   -5.9079 C   0  0  0  0  0
    4.7416    0.0770   -4.5894 C   0  0  0  0  0
    5.5537    1.1630   -4.4164 N   0  0  0  0  0
    6.1582    1.4225   -5.6147 C   0  0  0  0  0
    5.7933    0.5621   -6.5398 N   0  0  0  0  0
    0.1108    0.6658    0.0822 H   0  0  0  0  0
    0.4792   -0.9707    0.5986 H   0  0  0  0  0
    0.5506   -0.5560   -1.1237 H   0  0  0  0  0
    2.7324   -1.8181    0.4894 H   0  0  0  0  0
    4.0535   -0.6888    0.2910 H   0  0  0  0  0
    4.0229   -2.2059   -1.6082 H   0  0  0  0  0
    2.3193   -1.8430   -1.9543 H   0  0  0  0  0
    3.1523    1.7379   -2.8571 H   0  0  0  0  0
    1.7903    0.6106   -2.7631 H   0  0  0  0  0
    3.5162    1.6849   -0.4650 H   0  0  0  0  0
    1.8474    2.1047   -0.7743 H   0  0  0  0  0
    3.0387   -2.8884   -5.9928 H   0  0  0  0  0
    5.6884    1.6605   -3.5476 H   0  0  0  0  0
    6.8533    2.2407   -5.7504 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
M  END

>  <Chemical Name>
6-(4-methylpiperazin-1-yl)-9H-purine

>  <PubChem CID>
756701

>  <Formula>
C10H14N6

>  <Molecular Weight>
218.264000

>  <IUPAC Name>
6-(4-methylpiperazin-1-yl)-7H-purine

>  <XlogP>
0.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC=NC3=C2NC=N3

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC=NC3=C2NC=N3

>  <InChI Std. ID>
InChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14)

>  <InChI Key>
AXPCNBLIEMWMMG-UHFFFAOYSA-N

