2-[6-(2,2-diphenylethylamino)-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-(2,2-diphenylethylamino)-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-(2,2-diphenylethylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate CAS Name: 2-[6-(2,2-diphenylethylamino)-2-[2-(1-methyl-4-imidazolyl)ethylamino]-9-purinyl]-5-(2-methyl-5-tetrazolyl)oxolane-3,4-diol formate IUPAC Name: 2-[6-(2,2-diphenylethylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol formate Traditional Name: 2-[6-(2,2-diphenylethylamino)-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate Formula: C32H35N12O5- MolecularWeight: 667.6977

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CCNC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)C7=NN(N=N7)C)O)O.C(=O)[O-]

Isomeric SMILES

CN1C=C(N=C1)CCNC2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)C7=NN(N=N7)C)O)O.C(=O)[O-]

InChI

InChI=1S/C31H34N12O3.CH2O2/c1-41-16-21(34-17-41)13-14-32-31-36-27(33-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20)23-29(37-31)43(18-35-23)30-25(45)24(44)26(46-30)28-38-40-42(2)39-28;2-1-3/h3-12,16-18,22,24-26,30,44-45H,13-15H2,1-2H3,(H2,32,33,36,37);1H,(H,2,3)/p-1