[(1S,2R,3S,5S)-5-[2-acetamido-6,8-bis(oxidanylidene)-3,7-dihydropurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentyl] methanesulfonate

Systemtic Name: [(1S,2R,3S,5S)-5-[2-acetamido-6,8-bis(oxidanylidene)-3,7-dihydropurin-9-yl]-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentyl] methanesulfonate Openeye Name: [(1S,2R,3S,5S)-5-(2-acetamido-6,8-dioxo-3,7-dihydropurin-9-yl)-3-benzyloxy-2-(benzyloxymethyl)cyclopentyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2R,3S,5S)-5-(2-acetamido-6,8-dioxo-3,7-dihydropurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentyl] ester IUPAC Name: [(1S,2R,3S,5S)-5-(2-acetamido-6,8-dioxo-3,7-dihydropurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2R,3S,5S)-5-(2-acetamido-6,8-diketo-3,7-dihydropurin-9-yl)-3-benzoxy-2-(benzoxymethyl)cyclopentyl] ester Formula: C28H31N5O8S MolecularWeight: 597.63944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=O)N2)C3CC(C(C3OS(=O)(=O)C)COCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=O)N2)[C@H]3C[C@@H]([C@H]([C@@H]3OS(=O)(=O)C)COCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O8S/c1-17(34)29-27-31-25-23(26(35)32-27)30-28(36)33(25)21-13-22(40-15-19-11-7-4-8-12-19)20(24(21)41-42(2,37)38)16-39-14-18-9-5-3-6-10-18/h3-12,20-22,24H,13-16H2,1-2H3,(H,30,36)(H2,29,31,32,34,35)/t20-,21+,22+,24+/m1/s1