[6-[6-(2-methylpropanoylamino)-7H-purin-2-yl]-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [6-[6-(2-methylpropanoylamino)-7H-purin-2-yl]-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [5-benzoyloxy-4-hydroxy-6-[6-(2-methylpropanoylamino)-7H-purin-2-yl]tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [5-benzoyloxy-4-hydroxy-6-[6-[(2-methyl-1-oxopropyl)amino]-7H-purin-2-yl]-3-oxanyl] ester IUPAC Name: [5-benzoyloxy-4-hydroxy-6-[6-(2-methylpropanoylamino)-7H-purin-2-yl]oxan-3-yl] benzoate Traditional Name: benzoic acid [5-benzoyloxy-4-hydroxy-6-[6-(isobutyrylamino)-7H-purin-2-yl]tetrahydropyran-3-yl] ester Formula: C28H27N5O7 MolecularWeight: 545.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=NC2=C1NC=N2)C3C(C(C(CO3)OC(=O)C4=CC=CC=C4)O)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C(=O)NC1=NC(=NC2=C1NC=N2)C3C(C(C(CO3)OC(=O)C4=CC=CC=C4)O)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O7/c1-15(2)26(35)33-24-19-23(30-14-29-19)31-25(32-24)22-21(40-28(37)17-11-7-4-8-12-17)20(34)18(13-38-22)39-27(36)16-9-5-3-6-10-16/h3-12,14-15,18,20-22,34H,13H2,1-2H3,(H2,29,30,31,32,33,35)