[3,4-bis[(4-methoxyphenyl)carbonyloxy]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 4-methoxybenzoate

Systemtic Name: [3,4-bis[(4-methoxyphenyl)carbonyloxy]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 4-methoxybenzoate Openeye Name: [3,4-bis[(4-methoxybenzoyl)oxy]-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3,4-bis[(4-methoxyphenyl)-oxomethoxy]-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-bis[(4-methoxybenzoyl)oxy]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3,4-bis(p-anisoyloxy)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C34H30N4O10S MolecularWeight: 686.6878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C5=CC=C(C=C5)OC)OC(=O)C6=CC=C(C=C6)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C5=CC=C(C=C5)OC)OC(=O)C6=CC=C(C=C6)OC

InChI

InChI=1S/C34H30N4O10S/c1-42-22-10-4-19(5-11-22)32(39)45-16-25-27(47-33(40)20-6-12-23(43-2)13-7-20)28(48-34(41)21-8-14-24(44-3)15-9-21)31(46-25)38-18-37-26-29(38)35-17-36-30(26)49/h4-15,17-18,25,27-28,31H,16H2,1-3H3,(H,35,36,49)