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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CO)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)CO)OC(=O)C5=CC=CC=C5

InChI

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