2-[6-[ethyl(propyl)amino]-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol ethanoate

Systemtic Name: 2-[6-[ethyl(propyl)amino]-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol ethanoate Openeye Name: 2-[6-[ethyl(propyl)amino]-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol acetate CAS Name: 2-[6-[ethyl(propyl)amino]-2-[2-(1-methyl-4-imidazolyl)ethylamino]-9-purinyl]-5-(2-ethyl-5-tetrazolyl)oxolane-3,4-diol acetate IUPAC Name: 2-[6-[ethyl(propyl)amino]-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol acetate Traditional Name: 2-[6-[ethyl(propyl)amino]-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol acetate Formula: C25H37N12O5- MolecularWeight: 585.63868

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)C4=NN(N=N4)CC)O)O)NCCC5=CN(C=N5)C.CC(=O)[O-]

Isomeric SMILES

CCCN(CC)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)C4=NN(N=N4)CC)O)O)NCCC5=CN(C=N5)C.CC(=O)[O-]

InChI

InChI=1S/C23H34N12O3.C2H4O2/c1-5-10-33(6-2)20-15-21(28-23(27-20)24-9-8-14-11-32(4)12-25-14)34(13-26-15)22-17(37)16(36)18(38-22)19-29-31-35(7-3)30-19;1-2(3)4/h11-13,16-18,22,36-37H,5-10H2,1-4H3,(H,24,27,28);1H3,(H,3,4)/p-1