[(1S,2R,3R)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(phenylcarbonyloxymethyl)cyclobutyl]methyl benzoate

Systemtic Name: [(1S,2R,3R)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(phenylcarbonyloxymethyl)cyclobutyl]methyl benzoate Openeye Name: [(1S,2R,3R)-3-(2-amino-6-oxo-3H-purin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate CAS Name: benzoic acid [(1S,2R,3R)-3-(2-amino-6-oxo-3H-purin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl ester IUPAC Name: [(1S,2R,3R)-3-(2-amino-6-oxo-3H-purin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate Traditional Name: benzoic acid [(1S,2R,3R)-3-(2-amino-6-keto-3H-purin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl ester Formula: C25H23N5O5 MolecularWeight: 473.48062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1N2C=NC3=C2NC(=NC3=O)N)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]([C@H]([C@@H]1N2C=NC3=C2NC(=NC3=O)N)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O5/c26-25-28-21-20(22(31)29-25)27-14-30(21)19-11-17(12-34-23(32)15-7-3-1-4-8-15)18(19)13-35-24(33)16-9-5-2-6-10-16/h1-10,14,17-19H,11-13H2,(H3,26,28,29,31)/t17-,18-,19-/m1/s1