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

Systemtic Name: [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5/c18-17-20-14-13(15(24)21-17)19-8-22(14)12-6-10(23)11(27-12)7-26-16(25)9-4-2-1-3-5-9/h1-5,8,10-12,23H,6-7H2,(H3,18,20,21,24)/t10-,11+,12+/m0/s1