[5-(6-benzamidopurin-9-yl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-benzamidopurin-9-yl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-benzamidopurin-9-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-benzamido-9-purinyl)-3-benzoyloxy-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-3-benzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(6-benzamidopurin-9-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C31H25N5O7 MolecularWeight: 579.5595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O

InChI

InChI=1S/C31H25N5O7/c37-24-25(43-31(40)21-14-8-3-9-15-21)22(16-41-30(39)20-12-6-2-7-13-20)42-29(24)36-18-34-23-26(32-17-33-27(23)36)35-28(38)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,29,37H,16H2,(H,32,33,35,38)