
 n-cyclopentyl-9-pentofuranosyl-9h-purin-6-amine

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.5144    2.1006   -3.7658 C   0  0  0  0  0
    1.9236    2.5870   -4.0480 C   0  0  0  0  0
    2.7805    1.5626   -3.3240 C   0  0  0  0  0
    2.0251    1.2850   -2.0171 C   0  0  0  0  0
    0.5602    1.6636   -2.3048 C   0  0  0  0  0
    2.1119   -0.1112   -1.6218 N   0  0  0  0  0
    3.3634   -0.5800   -1.2180 C   0  0  0  0  0
    4.2910    0.2593   -0.6835 N   0  0  0  0  0
    5.4868   -0.2418   -0.3079 C   0  0  0  0  0
    5.9245   -1.5153   -0.3890 N   0  0  0  0  0
    4.9842   -2.3033   -0.9330 C   0  0  0  0  0
    3.7162   -1.9376   -1.3525 C   0  0  0  0  0
    3.0320   -3.0305   -1.8492 N   0  0  0  0  0
    3.8747   -4.0362   -1.7330 C   0  0  0  0  0
    5.0710   -3.6416   -1.1978 N   0  0  0  0  0
    6.2293   -4.4622   -0.9312 C   0  0  0  0  0
    6.3376   -4.9704    0.5169 C   0  0  0  0  0
    7.1880   -6.2102    0.2923 C   0  0  0  0  0
    6.5350   -6.7717   -0.9808 C   0  0  0  0  0
    6.2215   -5.6236   -1.8060 O   0  0  0  0  0
    7.3841   -7.7538   -1.7804 C   0  0  0  0  0
    8.6206   -7.1497   -2.1651 O   0  0  0  0  0
    8.5441   -5.7937    0.1145 O   0  0  0  0  0
    5.0808   -5.3753    1.0749 O   0  0  0  0  0
   -0.2379    2.8745   -3.9439 H   0  0  0  0  0
    0.2774    1.2422   -4.4052 H   0  0  0  0  0
    2.0780    3.5844   -3.6199 H   0  0  0  0  0
    2.1442    2.6327   -5.1180 H   0  0  0  0  0
    2.8691    0.6555   -3.9357 H   0  0  0  0  0
    3.7930    1.9367   -3.1406 H   0  0  0  0  0
    2.3916    1.9375   -1.2140 H   0  0  0  0  0
   -0.1523    0.8544   -2.1108 H   0  0  0  0  0
    0.2734    2.5071   -1.6646 H   0  0  0  0  0
    1.6622   -0.7865   -2.2376 H   0  0  0  0  0
    6.1865    0.4758    0.1118 H   0  0  0  0  0
    3.6746   -5.0616   -2.0202 H   0  0  0  0  0
    7.1193   -3.8840   -1.2099 H   0  0  0  0  0
    6.7996   -4.2328    1.1804 H   0  0  0  0  0
    7.1459   -6.9314    1.1141 H   0  0  0  0  0
    5.5793   -7.2501   -0.7337 H   0  0  0  0  0
    6.8684   -8.0631   -2.6955 H   0  0  0  0  0
    7.6123   -8.6434   -1.1862 H   0  0  0  0  0
    8.3816   -6.4350   -2.7889 H   0  0  0  0  0
    8.9717   -6.4101   -0.5193 H   0  0  0  0  0
    4.6053   -4.5670    1.3452 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 31  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 15  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 16 20  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 24  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 23  1  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 21  1  0  0  0
 19 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
 24 45  1  0  0  0
M  END

>  <Chemical Name>
n-cyclopentyl-9-pentofuranosyl-9h-purin-6-amine

>  <PubChem CID>
4402

>  <Formula>
C15H21N5O4

>  <Molecular Weight>
335.364000

>  <IUPAC Name>
2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

>  <XlogP>
0.900

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CCC(C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

>  <Isomeric SMILES>
C1CCC(C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

>  <InChI Std. ID>
InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)

>  <InChI Key>
SQMWSBKSHWARHU-UHFFFAOYSA-N

