[2-(6-aminopurin-9-yl)-5-azido-5-(1-iodanyl-2-oxidanylidene-2-phenyl-ethyl)-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate

Systemtic Name: [2-(6-aminopurin-9-yl)-5-azido-5-(1-iodanyl-2-oxidanylidene-2-phenyl-ethyl)-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate Openeye Name: [2-(6-aminopurin-9-yl)-5-azido-4-benzoyloxy-5-(1-iodo-2-oxo-2-phenyl-ethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [2-(6-aminopurin-9-yl)-5-azido-4-benzoyloxy-5-(1-iodo-2-oxo-2-phenylethyl)-3-oxolanyl] ester IUPAC Name: [2-(6-aminopurin-9-yl)-5-azido-4-benzoyloxy-5-(1-iodo-2-oxo-2-phenylethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [2-adenin-9-yl-5-azido-4-benzoyloxy-5-(1-iodo-2-keto-2-phenyl-ethyl)tetrahydrofuran-3-yl] ester Formula: C31H23IN8O6 MolecularWeight: 730.46879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C2(C(C(C(O2)N3C=NC4=C3N=CN=C4N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)N=[N+]=[N-])I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C2(C(C(C(O2)N3C=NC4=C3N=CN=C4N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)N=[N+]=[N-])I

InChI

InChI=1S/C31H23IN8O6/c32-24(22(41)18-10-4-1-5-11-18)31(38-39-34)25(45-30(43)20-14-8-3-9-15-20)23(44-29(42)19-12-6-2-7-13-19)28(46-31)40-17-37-21-26(33)35-16-36-27(21)40/h1-17,23-25,28H,(H2,33,35,36)