[4-(phenylcarbonyloxy)-5-[6-(propanoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate

Systemtic Name: [4-(phenylcarbonyloxy)-5-[6-(propanoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate Openeye Name: [4-benzoyloxy-5-[6-(propanoylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-benzoyloxy-5-[6-(1-oxopropylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [4-benzoyloxy-5-[6-(propanoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-benzoyloxy-5-(6-propionamidopurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C27H25N5O6 MolecularWeight: 515.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC=NC2=C1N=CN2C3C(CC(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)NC1=NC=NC2=C1N=CN2C3C(CC(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O6/c1-2-21(33)31-23-22-24(29-15-28-23)32(16-30-22)25-20(38-27(35)18-11-7-4-8-12-18)13-19(37-25)14-36-26(34)17-9-5-3-6-10-17/h3-12,15-16,19-20,25H,2,13-14H2,1H3,(H,28,29,31,33)