[5-(6-benzamidopurin-9-yl)-3,4-bis[(4-iodophenyl)carbonyloxy]oxolan-2-yl]methyl 4-iodanylbenzoate

Systemtic Name: [5-(6-benzamidopurin-9-yl)-3,4-bis[(4-iodophenyl)carbonyloxy]oxolan-2-yl]methyl 4-iodanylbenzoate Openeye Name: [5-(6-benzamidopurin-9-yl)-3,4-bis[(4-iodobenzoyl)oxy]tetrahydrofuran-2-yl]methyl 4-iodobenzoate CAS Name: 4-iodobenzoic acid [5-(6-benzamido-9-purinyl)-3,4-bis[(4-iodophenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-3,4-bis[(4-iodobenzoyl)oxy]oxolan-2-yl]methyl 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [5-(6-benzamidopurin-9-yl)-3,4-bis[(4-iodobenzoyl)oxy]tetrahydrofuran-2-yl]methyl ester Formula: C38H26I3N5O8 MolecularWeight: 1061.35515

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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=C(C=C5)I)OC(=O)C6=CC=C(C=C6)I)OC(=O)C7=CC=C(C=C7)I

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=C(C=C5)I)OC(=O)C6=CC=C(C=C6)I)OC(=O)C7=CC=C(C=C7)I

InChI

InChI=1S/C38H26I3N5O8/c39-25-12-6-22(7-13-25)36(48)51-18-28-30(53-37(49)23-8-14-26(40)15-9-23)31(54-38(50)24-10-16-27(41)17-11-24)35(52-28)46-20-44-29-32(42-19-43-33(29)46)45-34(47)21-4-2-1-3-5-21/h1-17,19-20,28,30-31,35H,18H2,(H,42,43,45,47)