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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N3)N(C=N2)CC(COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N3)N(C=N2)C[C@H](COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H23N5O5/c35-27(20-10-4-1-5-11-20)33-25-24-26(31-18-30-24)34(19-32-25)16-23(39-29(37)22-14-8-3-9-15-22)17-38-28(36)21-12-6-2-7-13-21/h1-15,18-19,23H,16-17H2,(H,33,35)/t23-/m1/s1