[5-(6-chloranylpurin-7-yl)-2-(phenylcarbonyloxy)oxolan-3-yl] benzoate

Systemtic Name: [5-(6-chloranylpurin-7-yl)-2-(phenylcarbonyloxy)oxolan-3-yl] benzoate Openeye Name: [2-benzoyloxy-5-(6-chloropurin-7-yl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [2-benzoyloxy-5-(6-chloro-7-purinyl)-3-oxolanyl] ester IUPAC Name: [2-benzoyloxy-5-(6-chloropurin-7-yl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [2-benzoyloxy-5-(6-chloropurin-7-yl)tetrahydrofuran-3-yl] ester Formula: C23H17ClN4O5 MolecularWeight: 464.85788

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2C(=NC=N3)Cl)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2C(=NC=N3)Cl)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H17ClN4O5/c24-19-18-20(26-12-25-19)27-13-28(18)17-11-16(31-21(29)14-7-3-1-4-8-14)23(32-17)33-22(30)15-9-5-2-6-10-15/h1-10,12-13,16-17,23H,11H2