[3,4-bis[(4-methylphenyl)carbonyloxy]-5-(1-methyl-6-sulfanylidene-purin-9-yl)oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [3,4-bis[(4-methylphenyl)carbonyloxy]-5-(1-methyl-6-sulfanylidene-purin-9-yl)oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [3,4-bis[(4-methylbenzoyl)oxy]-5-(1-methyl-6-thioxo-purin-9-yl)tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3,4-bis[(4-methylphenyl)-oxomethoxy]-5-(1-methyl-6-sulfanylidene-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-bis[(4-methylbenzoyl)oxy]-5-(1-methyl-6-sulfanylidenepurin-9-yl)oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(1-methyl-6-thioxo-purin-9-yl)-3,4-bis(p-toluoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C35H32N4O7S MolecularWeight: 652.71618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN(C4=S)C)OC(=O)C5=CC=C(C=C5)C)OC(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN(C4=S)C)OC(=O)C5=CC=C(C=C5)C)OC(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C35H32N4O7S/c1-20-5-11-23(12-6-20)33(40)43-17-26-28(45-34(41)24-13-7-21(2)8-14-24)29(46-35(42)25-15-9-22(3)10-16-25)31(44-26)39-19-36-27-30(39)37-18-38(4)32(27)47/h5-16,18-19,26,28-29,31H,17H2,1-4H3