[2-[(2-azanylpurin-9-yl)oxymethyl]-3-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [2-[(2-azanylpurin-9-yl)oxymethyl]-3-(phenylcarbonyloxy)propyl] benzoate Openeye Name: [2-[(2-aminopurin-9-yl)oxymethyl]-3-benzoyloxy-propyl] benzoate CAS Name: benzoic acid [2-[(2-amino-9-purinyl)oxymethyl]-3-benzoyloxypropyl] ester IUPAC Name: [2-[(2-aminopurin-9-yl)oxymethyl]-3-benzoyloxypropyl] benzoate Traditional Name: benzoic acid [2-[(2-aminopurin-9-yl)oxymethyl]-3-benzoyloxy-propyl] ester Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)CON3C=NC4=CN=C(N=C43)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)CON3C=NC4=CN=C(N=C43)N

InChI

InChI=1S/C23H21N5O5/c24-23-25-11-19-20(27-23)28(15-26-19)33-14-16(12-31-21(29)17-7-3-1-4-8-17)13-32-22(30)18-9-5-2-6-10-18/h1-11,15-16H,12-14H2,(H2,24,25,27)