[6-[2-(2-methylpropanoylamino)-6-oxidanylidene-3,7-dihydropurin-8-yl]-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [6-[2-(2-methylpropanoylamino)-6-oxidanylidene-3,7-dihydropurin-8-yl]-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [5-benzoyloxy-4-hydroxy-6-[2-(2-methylpropanoylamino)-6-oxo-3,7-dihydropurin-8-yl]tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [5-benzoyloxy-4-hydroxy-6-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3,7-dihydropurin-8-yl]-3-oxanyl] ester IUPAC Name: [5-benzoyloxy-4-hydroxy-6-[2-(2-methylpropanoylamino)-6-oxo-3,7-dihydropurin-8-yl]oxan-3-yl] benzoate Traditional Name: benzoic acid [5-benzoyloxy-4-hydroxy-6-[2-(isobutyrylamino)-6-keto-3,7-dihydropurin-8-yl]tetrahydropyran-3-yl] ester Formula: C28H27N5O8 MolecularWeight: 561.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=C(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(=O)C2=C(N1)N=C(N2)C3C(C(C(CO3)OC(=O)C4=CC=CC=C4)O)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O8/c1-14(2)24(35)32-28-31-22-18(25(36)33-28)29-23(30-22)21-20(41-27(38)16-11-7-4-8-12-16)19(34)17(13-39-21)40-26(37)15-9-5-3-6-10-15/h3-12,14,17,19-21,34H,13H2,1-2H3,(H3,29,30,31,32,33,35,36)