[2-(6-benzamidopurin-9-yl)-3-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [2-(6-benzamidopurin-9-yl)-3-(phenylcarbonyloxy)propyl] benzoate Openeye Name: [2-(6-benzamidopurin-9-yl)-3-benzoyloxy-propyl] benzoate CAS Name: benzoic acid [2-(6-benzamido-9-purinyl)-3-benzoyloxypropyl] ester IUPAC Name: [2-(6-benzamidopurin-9-yl)-3-benzoyloxypropyl] benzoate Traditional Name: benzoic acid [2-(6-benzamidopurin-9-yl)-3-benzoyloxy-propyl] ester Formula: C29H23N5O5 MolecularWeight: 521.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C(COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C(COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H23N5O5/c35-27(20-10-4-1-5-11-20)33-25-24-26(31-18-30-25)34(19-32-24)23(16-38-28(36)21-12-6-2-7-13-21)17-39-29(37)22-14-8-3-9-15-22/h1-15,18-19,23H,16-17H2,(H,30,31,33,35)