[2-methyl-3-methylsulfonyloxy-5-(phenylcarbonyloxy)-6-(7H-purin-6-ylamino)oxan-4-yl] benzoate

Systemtic Name: [2-methyl-3-methylsulfonyloxy-5-(phenylcarbonyloxy)-6-(7H-purin-6-ylamino)oxan-4-yl] benzoate Openeye Name: [5-benzoyloxy-2-methyl-3-methylsulfonyloxy-6-(7H-purin-6-ylamino)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [5-benzoyloxy-2-methyl-3-methylsulfonyloxy-6-(7H-purin-6-ylamino)-4-oxanyl] ester IUPAC Name: [5-benzoyloxy-2-methyl-3-methylsulfonyloxy-6-(7H-purin-6-ylamino)oxan-4-yl] benzoate Traditional Name: benzoic acid [5-benzoyloxy-2-methyl-3-methylsulfonyloxy-6-(7H-purin-6-ylamino)tetrahydropyran-4-yl] ester Formula: C26H25N5O8S MolecularWeight: 567.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)NC2=NC=NC3=C2NC=N3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OS(=O)(=O)C

Isomeric SMILES

CC1C(C(C(C(O1)NC2=NC=NC3=C2NC=N3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OS(=O)(=O)C

InChI

InChI=1S/C26H25N5O8S/c1-15-19(39-40(2,34)35)20(37-25(32)16-9-5-3-6-10-16)21(38-26(33)17-11-7-4-8-12-17)24(36-15)31-23-18-22(28-13-27-18)29-14-30-23/h3-15,19-21,24H,1-2H3,(H2,27,28,29,30,31)