[5-(2-benzamido-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(2-benzamido-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(2-benzamido-6-oxo-3H-purin-9-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(2-benzamido-6-oxo-3H-purin-9-yl)-3-benzoyloxy-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-benzamido-6-oxo-3H-purin-9-yl)-3-benzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-benzamido-6-keto-3H-purin-9-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C31H25N5O8 MolecularWeight: 595.5589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=O)C3=C(N2)N(C=N3)C4C(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(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)O

InChI

InChI=1S/C31H25N5O8/c37-23-24(44-30(41)20-14-8-3-9-15-20)21(16-42-29(40)19-12-6-2-7-13-19)43-28(23)36-17-32-22-25(36)33-31(35-27(22)39)34-26(38)18-10-4-1-5-11-18/h1-15,17,21,23-24,28,37H,16H2,(H2,33,34,35,38,39)