[3,4-diacetyloxy-5-(6-aminopurin-9-yl)-2-methyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [3,4-diacetyloxy-5-(6-aminopurin-9-yl)-2-methyl-oxolan-2-yl]methyl benzoate Openeye Name: [3,4-diacetoxy-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-diacetyloxy-5-(6-aminopurin-9-yl)-2-methyl-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(6-aminopurin-9-yl)-2-methyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid (3,4-diacetoxy-5-adenin-9-yl-2-methyl-tetrahydrofuran-2-yl)methyl ester Formula: C22H23N5O7 MolecularWeight: 469.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)(C)COC(=O)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)(C)COC(=O)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C22H23N5O7/c1-12(28)32-16-17(33-13(2)29)22(3,9-31-21(30)14-7-5-4-6-8-14)34-20(16)27-11-26-15-18(23)24-10-25-19(15)27/h4-8,10-11,16-17,20H,9H2,1-3H3,(H2,23,24,25)