[4-acetyloxy-5-(6-benzamidopurin-9-yl)-3-[bis(bromanyl)methylidene]oxolan-2-yl]methyl benzoate

Systemtic Name: [4-acetyloxy-5-(6-benzamidopurin-9-yl)-3-[bis(bromanyl)methylidene]oxolan-2-yl]methyl benzoate Openeye Name: [4-acetoxy-5-(6-benzamidopurin-9-yl)-3-(dibromomethylene)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-acetyloxy-5-(6-benzamido-9-purinyl)-3-(dibromomethylidene)-2-oxolanyl]methyl ester IUPAC Name: [4-acetyloxy-5-(6-benzamidopurin-9-yl)-3-(dibromomethylidene)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-acetoxy-5-(6-benzamidopurin-9-yl)-3-(dibromomethylene)tetrahydrofuran-2-yl]methyl ester Formula: C27H21Br2N5O6 MolecularWeight: 671.29354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1=C(Br)Br)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1C(OC(C1=C(Br)Br)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H21Br2N5O6/c1-15(35)39-21-19(22(28)29)18(12-38-27(37)17-10-6-3-7-11-17)40-26(21)34-14-32-20-23(30-13-31-24(20)34)33-25(36)16-8-4-2-5-9-16/h2-11,13-14,18,21,26H,12H2,1H3,(H,30,31,33,36)