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

Systemtic Name: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-methylphenyl)carbonyloxy]oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-bis[(4-methylbenzoyl)oxy]tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-bis(p-toluoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C34H31N5O7S MolecularWeight: 653.70424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=S)N)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=C3NC(=NC4=S)N)OC(=O)C5=CC=C(C=C5)C)OC(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C34H31N5O7S/c1-18-4-10-21(11-5-18)31(40)43-16-24-26(45-32(41)22-12-6-19(2)7-13-22)27(46-33(42)23-14-8-20(3)9-15-23)30(44-24)39-17-36-25-28(39)37-34(35)38-29(25)47/h4-15,17,24,26-27,30H,16H2,1-3H3,(H3,35,37,38,47)