[(2S)-5-purin-9-yloxolan-2-yl]methyl benzoate

Systemtic Name: [(2S)-5-purin-9-yloxolan-2-yl]methyl benzoate Openeye Name: [(2S)-5-purin-9-yltetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S)-5-(9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S)-5-purin-9-yloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S)-5-purin-9-yltetrahydrofuran-2-yl]methyl ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COC(=O)C2=CC=CC=C2)N3C=NC4=CN=CN=C43

Isomeric SMILES

C1CC(O[C@@H]1COC(=O)C2=CC=CC=C2)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C17H16N4O3/c22-17(12-4-2-1-3-5-12)23-9-13-6-7-15(24-13)21-11-20-14-8-18-10-19-16(14)21/h1-5,8,10-11,13,15H,6-7,9H2/t13-,15?/m0/s1