
 CHEMBL416540

 32 34  0  0  0  0  0  0  0  0999 V2000
   -0.7824   -1.0259   -0.1571 C   0  0  0  0  0
   -1.0481    0.3449    0.4374 C   0  0  0  0  0
    0.0390    1.1815   -0.2240 C   0  0  0  0  0
    1.1600    0.3124   -0.4664 O   0  0  0  0  0
    0.7328   -1.0541   -0.2591 C   0  0  0  0  0
    1.2533   -1.9245   -1.3995 C   0  0  0  0  0
    2.6793   -1.8952   -1.4102 O   0  0  0  0  0
   -1.0164    0.3273    1.8899 N   0  0  0  0  0
    0.0462    0.5569    2.7239 C   0  0  0  0  0
   -0.2887    0.4459    3.9932 N   0  0  0  0  0
   -1.6277    0.1194    3.9779 C   0  0  0  0  0
   -2.0961    0.0320    2.6808 C   0  0  0  0  0
   -3.3382   -0.2876    2.2878 N   0  0  0  0  0
   -4.1388   -0.5545    3.3314 C   0  0  0  0  0
   -3.8174   -0.4918    4.6362 N   0  0  0  0  0
   -2.5583   -0.1458    4.9918 C   0  0  0  0  0
   -2.2452   -0.0947    6.3462 N   0  0  0  0  0
   -5.4471   -0.8915    3.0398 N   0  0  0  0  0
   -1.1752   -1.8639    0.4272 H   0  0  0  0  0
   -1.2316   -1.0747   -1.1572 H   0  0  0  0  0
   -2.0356    0.7304    0.1580 H   0  0  0  0  0
   -0.2983    1.5402   -1.2033 H   0  0  0  0  0
    0.3645    2.0490    0.3578 H   0  0  0  0  0
    1.1853   -1.3770    0.6859 H   0  0  0  0  0
    0.9123   -1.5513   -2.3707 H   0  0  0  0  0
    0.9310   -2.9634   -1.2841 H   0  0  0  0  0
    2.9256   -0.9530   -1.3343 H   0  0  0  0  0
    1.0412    0.7942    2.3662 H   0  0  0  0  0
   -2.8694   -0.6710    6.8956 H   0  0  0  0  0
   -1.2507   -0.1839    6.5257 H   0  0  0  0  0
   -6.0285   -0.6757    3.8388 H   0  0  0  0  0
   -5.7164   -0.4883    2.1541 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 11 16  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 18  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL416540

>  <PubChem CID>
44271721

>  <Formula>
C10H14N6O2

>  <Molecular Weight>
250.262000

>  <IUPAC Name>
[4-(2,6-diaminopurin-9-yl)oxolan-2-yl]methanol

>  <XlogP>
-0.900

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C(COC1CO)N2C=NC3=C2N=C(N=C3N)N

>  <Isomeric SMILES>
C1C(COC1CO)N2C=NC3=C2N=C(N=C3N)N

>  <InChI Std. ID>
InChI=1S/C10H14N6O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)5-1-6(2-17)18-3-5/h4-6,17H,1-3H2,(H4,11,12,14,15)

>  <InChI Key>
FJBJRJQLSWVZRD-UHFFFAOYSA-N

