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

Systemtic Name: [5-(2-acetamido-6-chloranyl-purin-9-yl)-4-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(2-acetamido-6-chloro-purin-9-yl)-4-benzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(2-acetamido-6-chloro-9-purinyl)-4-benzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-acetamido-6-chloropurin-9-yl)-4-benzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-acetamido-6-chloro-purin-9-yl)-4-benzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C26H22ClN5O6 MolecularWeight: 535.93578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2C3C(CC(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2C3C(CC(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H22ClN5O6/c1-15(33)29-26-30-21(27)20-22(31-26)32(14-28-20)23-19(38-25(35)17-10-6-3-7-11-17)12-18(37-23)13-36-24(34)16-8-4-2-5-9-16/h2-11,14,18-19,23H,12-13H2,1H3,(H,29,30,31,33)