[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl benzoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O

InChI

InChI=1S/C17H17N5O6/c18-17-20-13-10(14(25)21-17)19-7-22(13)15-12(24)11(23)9(28-15)6-27-16(26)8-4-2-1-3-5-8/h1-5,7,9,11-12,15,23-24H,6H2,(H3,18,20,21,25)