[(2S,4R)-4-acetyloxy-5-(6-benzamidopurin-9-yl)-3-methylidene-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4R)-4-acetyloxy-5-(6-benzamidopurin-9-yl)-3-methylidene-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,4R)-4-acetoxy-5-(6-benzamidopurin-9-yl)-3-methylene-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4R)-4-acetyloxy-5-(6-benzamido-9-purinyl)-3-methylene-2-oxolanyl]methyl ester IUPAC Name: [(2S,4R)-4-acetyloxy-5-(6-benzamidopurin-9-yl)-3-methylideneoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4R)-4-acetoxy-5-(6-benzamidopurin-9-yl)-3-methylene-tetrahydrofuran-2-yl]methyl ester Formula: C27H23N5O6 MolecularWeight: 513.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)O[C@H]1C(O[C@@H](C1=C)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O6/c1-16-20(13-36-27(35)19-11-7-4-8-12-19)38-26(22(16)37-17(2)33)32-15-30-21-23(28-14-29-24(21)32)31-25(34)18-9-5-3-6-10-18/h3-12,14-15,20,22,26H,1,13H2,2H3,(H,28,29,31,34)/t20-,22-,26?/m1/s1