[(2R,3R,5S)-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] benzoate

Systemtic Name: [(2R,3R,5S)-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] benzoate Openeye Name: [(2R,3R,5S)-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,5S)-2-(6-benzamido-9-purinyl)-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,5S)-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,5S)-2-(6-benzamidopurin-9-yl)-5-methylol-tetrahydrofuran-3-yl] ester Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1OC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)CO

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O5/c30-12-17-11-18(34-24(32)16-9-5-2-6-10-16)23(33-17)29-14-27-19-20(25-13-26-21(19)29)28-22(31)15-7-3-1-4-8-15/h1-10,13-14,17-18,23,30H,11-12H2,(H,25,26,28,31)/t17-,18+,23+/m0/s1