
 CHEMBL609774

 56 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL609774

>  <PubChem CID>
46875347

>  <Formula>
C20H26N6O4

>  <Molecular Weight>
414.466000

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

>  <XlogP>
1.300

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1C2CC3CC1CC(C2)C3NC(=O)C4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O

>  <Isomeric SMILES>
C1C2CC3CC1CC(C2)C3NC(=O)[C@@H]4[C@H]([C@H](C(O4)N5C=NC6=C5N=CN=C6N)O)O

>  <InChI Std. ID>
InChI=1S/C20H26N6O4/c21-17-13-18(23-6-22-17)26(7-24-13)20-15(28)14(27)16(30-20)19(29)25-12-10-2-8-1-9(4-10)5-11(12)3-8/h6-12,14-16,20,27-28H,1-5H2,(H,25,29)(H2,21,22,23)/t8?,9?,10?,11?,12?,14-,15+,16-,20?/m0/s1

>  <InChI Key>
QGZRXXNUTHHOES-GSTYMQATSA-N

