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

Systemtic Name: [5-(6-benzamidopurin-9-yl)-3,4-bis[(2-bromophenyl)carbonyloxy]oxolan-2-yl]methyl 2-bromanylbenzoate Openeye Name: [5-(6-benzamidopurin-9-yl)-3,4-bis[(2-bromobenzoyl)oxy]tetrahydrofuran-2-yl]methyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid [5-(6-benzamido-9-purinyl)-3,4-bis[(2-bromophenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-3,4-bis[(2-bromobenzoyl)oxy]oxolan-2-yl]methyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [5-(6-benzamidopurin-9-yl)-3,4-bis[(2-bromobenzoyl)oxy]tetrahydrofuran-2-yl]methyl ester Formula: C38H26Br3N5O8 MolecularWeight: 920.35374

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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=C5Br)OC(=O)C6=CC=CC=C6Br)OC(=O)C7=CC=CC=C7Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5Br)OC(=O)C6=CC=CC=C6Br)OC(=O)C7=CC=CC=C7Br

InChI

InChI=1S/C38H26Br3N5O8/c39-25-15-7-4-12-22(25)36(48)51-18-28-30(53-37(49)23-13-5-8-16-26(23)40)31(54-38(50)24-14-6-9-17-27(24)41)35(52-28)46-20-44-29-32(42-19-43-33(29)46)45-34(47)21-10-2-1-3-11-21/h1-17,19-20,28,30-31,35H,18H2,(H,42,43,45,47)