2-[6-(3,3-dimethylbutylamino)-2-[2-(pyridin-2-ylamino)ethylamino]purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol ethanoate

Systemtic Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(pyridin-2-ylamino)ethylamino]purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol ethanoate Openeye Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(2-pyridylamino)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol acetate CAS Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(2-pyridinylamino)ethylamino]-9-purinyl]-5-(2-ethyl-5-tetrazolyl)oxolane-3,4-diol acetate IUPAC Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(pyridin-2-ylamino)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol acetate Traditional Name: 2-[6-(3,3-dimethylbutylamino)-2-[2-(2-pyridylamino)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol acetate Formula: C27H39N12O5- MolecularWeight: 611.67596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCCC(C)(C)C)NCCNC5=CC=CC=N5)O)O.CC(=O)[O-]

Isomeric SMILES

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCCC(C)(C)C)NCCNC5=CC=CC=N5)O)O.CC(=O)[O-]

InChI

InChI=1S/C25H36N12O3.C2H4O2/c1-5-37-34-21(33-35-37)19-17(38)18(39)23(40-19)36-14-30-16-20(28-11-9-25(2,3)4)31-24(32-22(16)36)29-13-12-27-15-8-6-7-10-26-15;1-2(3)4/h6-8,10,14,17-19,23,38-39H,5,9,11-13H2,1-4H3,(H,26,27)(H2,28,29,31,32);1H3,(H,3,4)/p-1