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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC=NC3=O)COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

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