[2-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-oxolan-3-yl] ethanoate

Systemtic Name: [2-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-oxolan-3-yl] ethanoate Openeye Name: [2-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [2-[2-acetamido-6-[oxo-(N-phenylanilino)methoxy]-9-purinyl]-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxy-3-oxolanyl] ester IUPAC Name: [2-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-5-(methoxycarbonyloxymethyl)-4-methylsulfonyloxyoxolan-3-yl] acetate Traditional Name: acetic acid [2-[2-acetamido-6-(diphenylcarbamoyloxy)purin-9-yl]-5-(carbomethoxyoxymethyl)-4-methylsulfonyloxy-tetrahydrofuran-3-yl] ester Formula: C30H30N6O12S MolecularWeight: 698.6572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5C(C(C(O5)COC(=O)OC)OS(=O)(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5C(C(C(O5)COC(=O)OC)OS(=O)(=O)C)OC(=O)C

InChI

InChI=1S/C30H30N6O12S/c1-17(37)32-28-33-25-22(26(34-28)47-29(39)36(19-11-7-5-8-12-19)20-13-9-6-10-14-20)31-16-35(25)27-24(45-18(2)38)23(48-49(4,41)42)21(46-27)15-44-30(40)43-3/h5-14,16,21,23-24,27H,15H2,1-4H3,(H,32,33,34,37)