[6-(6-benzamidopurin-9-yl)-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [6-(6-benzamidopurin-9-yl)-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [6-(6-benzamidopurin-9-yl)-4,5-dibenzoyloxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [6-(6-benzamido-9-purinyl)-4,5-dibenzoyloxy-3-oxanyl] ester IUPAC Name: [6-(6-benzamidopurin-9-yl)-4,5-dibenzoyloxyoxan-3-yl] benzoate Traditional Name: benzoic acid [6-(6-benzamidopurin-9-yl)-4,5-dibenzoyloxy-tetrahydropyran-3-yl] ester Formula: C38H29N5O8 MolecularWeight: 683.66556

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

C1C(C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C38H29N5O8/c44-34(24-13-5-1-6-14-24)42-32-29-33(40-22-39-32)43(23-41-29)35-31(51-38(47)27-19-11-4-12-20-27)30(50-37(46)26-17-9-3-10-18-26)28(21-48-35)49-36(45)25-15-7-2-8-16-25/h1-20,22-23,28,30-31,35H,21H2,(H,39,40,42,44)