[3,4-diacetyloxy-5-[2-azanyl-8-(2-methylpropanoyl)-6-oxidanylidene-3H-purin-9-yl]-2-methyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [3,4-diacetyloxy-5-[2-azanyl-8-(2-methylpropanoyl)-6-oxidanylidene-3H-purin-9-yl]-2-methyl-oxolan-2-yl]methyl benzoate Openeye Name: [3,4-diacetoxy-5-[2-amino-8-(2-methylpropanoyl)-6-oxo-3H-purin-9-yl]-2-methyl-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-diacetyloxy-5-[2-amino-8-(2-methyl-1-oxopropyl)-6-oxo-3H-purin-9-yl]-2-methyl-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[2-amino-8-(2-methylpropanoyl)-6-oxo-3H-purin-9-yl]-2-methyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-diacetoxy-5-(2-amino-8-isobutyryl-6-keto-3H-purin-9-yl)-2-methyl-tetrahydrofuran-2-yl]methyl ester Formula: C26H29N5O9 MolecularWeight: 555.53656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=NC2=C(N1C3C(C(C(O3)(C)COC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)NC(=NC2=O)N

Isomeric SMILES

CC(C)C(=O)C1=NC2=C(N1C3C(C(C(O3)(C)COC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)NC(=NC2=O)N

InChI

InChI=1S/C26H29N5O9/c1-12(2)17(34)21-28-16-20(29-25(27)30-22(16)35)31(21)23-18(38-13(3)32)19(39-14(4)33)26(5,40-23)11-37-24(36)15-9-7-6-8-10-15/h6-10,12,18-19,23H,11H2,1-5H3,(H3,27,29,30,35)