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

Systemtic Name: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-methoxyphenyl)carbonyloxy]oxolan-2-yl]methyl 4-methoxybenzoate Openeye Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-bis[(4-methoxybenzoyl)oxy]tetrahydrofuran-2-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-methoxyphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-methoxybenzoyl)oxy]oxolan-2-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-bis(p-anisoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C34H31N5O10S MolecularWeight: 701.70244

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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)N)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)N)OC(=O)C5=CC=C(C=C5)OC)OC(=O)C6=CC=C(C=C6)OC

InChI

InChI=1S/C34H31N5O10S/c1-43-21-10-4-18(5-11-21)31(40)46-16-24-26(48-32(41)19-6-12-22(44-2)13-7-19)27(49-33(42)20-8-14-23(45-3)15-9-20)30(47-24)39-17-36-25-28(39)37-34(35)38-29(25)50/h4-15,17,24,26-27,30H,16H2,1-3H3,(H3,35,37,38,50)