2-[6-(2-cyclohexylethylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol methanoate

Systemtic Name: 2-[6-(2-cyclohexylethylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol methanoate Openeye Name: 2-[6-(2-cyclohexylethylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate CAS Name: 2-[6-(2-cyclohexylethylamino)-2-[2-(1-methyl-4-imidazolyl)ethylamino]-9-purinyl]-5-(2-methyl-5-tetrazolyl)oxolane-3,4-diol formate IUPAC Name: 2-[6-(2-cyclohexylethylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol formate Traditional Name: 2-[6-(2-cyclohexylethylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate Formula: C26H37N12O5- MolecularWeight: 597.64938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CCNC2=NC3=C(C(=N2)NCCC4CCCCC4)N=CN3C5C(C(C(O5)C6=NN(N=N6)C)O)O.C(=O)[O-]

Isomeric SMILES

CN1C=C(N=C1)CCNC2=NC3=C(C(=N2)NCCC4CCCCC4)N=CN3C5C(C(C(O5)C6=NN(N=N6)C)O)O.C(=O)[O-]

InChI

InChI=1S/C25H36N12O3.CH2O2/c1-35-12-16(28-13-35)9-11-27-25-30-21(26-10-8-15-6-4-3-5-7-15)17-23(31-25)37(14-29-17)24-19(39)18(38)20(40-24)22-32-34-36(2)33-22;2-1-3/h12-15,18-20,24,38-39H,3-11H2,1-2H3,(H2,26,27,30,31);1H,(H,2,3)/p-1