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

Systemtic Name: [(2R,3S,5R)-2-(hydroxymethyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] benzoate Openeye Name: [(2R,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-(6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC=NC3=O)CO)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)CO)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H16N4O5/c22-7-12-11(26-17(24)10-4-2-1-3-5-10)6-13(25-12)21-9-20-14-15(21)18-8-19-16(14)23/h1-5,8-9,11-13,22H,6-7H2,(H,18,19,23)/t11-,12+,13+/m0/s1