[(2R,3R,4S,5S)-5-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-[6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-4-methylsulfonyloxy-oxolan-3-yl] methanesulfonate

Systemtic Name: [(2R,3R,4S,5S)-5-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-[6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-4-methylsulfonyloxy-oxolan-3-yl] methanesulfonate Openeye Name: [(2R,3R,4S,5S)-5-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-[6-[(E)-dimethylaminomethyleneamino]purin-9-yl]-4-methylsulfonyloxy-tetrahydrofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3R,4S,5S)-5-[bis(4-methoxyphenyl)-phenylmethoxy]-2-[6-[(E)-dimethylaminomethylideneamino]-9-purinyl]-4-methylsulfonyloxy-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5S)-5-[bis(4-methoxyphenyl)-phenylmethoxy]-2-[6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2R,3R,4S,5S)-5-[bis(4-methoxyphenyl)-phenyl-methoxy]-2-[6-[(E)-dimethylaminomethyleneamino]purin-9-yl]-4-methylsulfonyloxy-tetrahydrofuran-3-yl] ester Formula: C35H38N6O10S2 MolecularWeight: 766.84042

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)OC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CN(C)/C=N/C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)OC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C35H38N6O10S2/c1-40(2)21-39-31-28-32(37-20-36-31)41(22-38-28)33-29(50-52(5,42)43)30(51-53(6,44)45)34(48-33)49-35(23-10-8-7-9-11-23,24-12-16-26(46-3)17-13-24)25-14-18-27(47-4)19-15-25/h7-22,29-30,33-34H,1-6H3/b39-21+/t29-,30+,33-,34-/m1/s1