[(1S,2R,3R)-3-(6-aminopurin-9-yl)-2-(phenylcarbonyloxymethyl)cyclobutyl]methyl benzoate

Systemtic Name: [(1S,2R,3R)-3-(6-aminopurin-9-yl)-2-(phenylcarbonyloxymethyl)cyclobutyl]methyl benzoate Openeye Name: [(1S,2R,3R)-3-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate CAS Name: benzoic acid [(1S,2R,3R)-3-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl ester IUPAC Name: [(1S,2R,3R)-3-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate Traditional Name: benzoic acid [(1S,2R,3R)-3-adenin-9-yl-2-(benzoyloxymethyl)cyclobutyl]methyl ester Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]([C@H]([C@@H]1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O4/c26-22-21-23(28-14-27-22)30(15-29-21)20-11-18(12-33-24(31)16-7-3-1-4-8-16)19(20)13-34-25(32)17-9-5-2-6-10-17/h1-10,14-15,18-20H,11-13H2,(H2,26,27,28)/t18-,19-,20-/m1/s1