
 CHEMBL608293

 45 47  0  0  0  0  0  0  0  0999 V2000
    4.0772    0.1140    2.1716 C   0  0  0  0  0
    3.5025    1.3315    1.4448 C   0  0  0  0  0
    2.3504    1.9342    2.2463 C   0  0  0  0  0
    4.5812    2.3896    1.1918 C   0  0  0  0  0
    5.5841    1.8526    0.3225 O   0  0  0  0  0
    6.6023    2.8189    0.1783 N   0  0  0  0  0
    6.5541    3.5972   -0.9567 C   0  0  0  0  0
    5.6200    3.6321   -1.7554 O   0  0  0  0  0
    7.8071    4.4504   -1.1374 C   0  0  0  0  0
    7.5416    5.7192   -1.9567 C   0  0  0  0  0
    8.6806    6.6095   -1.4895 C   0  0  0  0  0
    8.6963    6.2652    0.0068 C   0  0  0  0  0
    8.3768    4.8570    0.1213 O   0  0  0  0  0
    9.9537    6.5214    0.6699 N   0  0  0  0  0
   10.9815    5.6370    0.8630 C   0  0  0  0  0
   11.9843    6.1822    1.5192 N   0  0  0  0  0
   11.5866    7.4829    1.7506 C   0  0  0  0  0
   10.3286    7.7148    1.2202 C   0  0  0  0  0
    9.6306    8.8618    1.2486 N   0  0  0  0  0
   10.3134    9.8178    1.9139 C   0  0  0  0  0
   11.5315    9.7316    2.4926 N   0  0  0  0  0
   12.2022    8.5599    2.4085 C   0  0  0  0  0
   13.4569    8.4725    2.9986 N   0  0  0  0  0
    9.8743    6.2044   -2.1726 O   0  0  0  0  0
    6.3061    6.3537   -1.6124 O   0  0  0  0  0
    4.8666   -0.3628    1.5817 H   0  0  0  0  0
    3.2978   -0.6349    2.3483 H   0  0  0  0  0
    4.5016    0.3950    3.1415 H   0  0  0  0  0
    3.1169    0.9862    0.4771 H   0  0  0  0  0
    2.6906    2.2906    3.2247 H   0  0  0  0  0
    1.5604    1.1941    2.4104 H   0  0  0  0  0
    1.9082    2.7821    1.7125 H   0  0  0  0  0
    5.0438    2.6990    2.1378 H   0  0  0  0  0
    4.1343    3.2711    0.7160 H   0  0  0  0  0
    7.4880    2.6165    0.6304 H   0  0  0  0  0
    8.5613    3.8291   -1.6361 H   0  0  0  0  0
    7.5499    5.5222   -3.0335 H   0  0  0  0  0
    8.5098    7.6757   -1.6699 H   0  0  0  0  0
    7.9100    6.8067    0.5471 H   0  0  0  0  0
   10.9445    4.6142    0.5074 H   0  0  0  0  0
    9.8202   10.7826    1.9986 H   0  0  0  0  0
   13.5776    9.1590    3.7314 H   0  0  0  0  0
   13.7335    7.5181    3.2030 H   0  0  0  0  0
   10.5530    6.8870   -2.0101 H   0  0  0  0  0
    5.5897    5.7516   -1.9109 H   0  0  0  0  0
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  1 26  1  0  0  0
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  2  4  1  0  0  0
  2  3  1  0  0  0
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  3 30  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL608293

>  <PubChem CID>
46875323

>  <Formula>
C14H20N6O5

>  <Molecular Weight>
352.351000

>  <IUPAC Name>
(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(2-methylpropoxy)oxolane-2-carboxamide

>  <XlogP>
0.300

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)CONC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

>  <Isomeric SMILES>
CC(C)CONC(=O)[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C2N=CN=C3N)O)O

>  <InChI Std. ID>
InChI=1S/C14H20N6O5/c1-6(2)3-24-19-13(23)10-8(21)9(22)14(25-10)20-5-18-7-11(15)16-4-17-12(7)20/h4-6,8-10,14,21-22H,3H2,1-2H3,(H,19,23)(H2,15,16,17)/t8-,9+,10-,14?/m0/s1

>  <InChI Key>
GCWNBWOAXTZZMS-JDSSLJPYSA-N

