[5-(6-aminopurin-9-yl)-3-oxidanyl-4-(2-oxidanylideneethoxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-oxidanyl-4-(2-oxidanylideneethoxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-oxoethoxy)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-oxoethoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-oxoethoxy)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-adenin-9-yl-3-hydroxy-4-(2-ketoethoxy)tetrahydrofuran-2-yl]methyl ester Formula: C19H19N5O6 MolecularWeight: 413.38406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)OCC=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)OCC=O)O

InChI

InChI=1S/C19H19N5O6/c20-16-13-17(22-9-21-16)24(10-23-13)18-15(28-7-6-25)14(26)12(30-18)8-29-19(27)11-4-2-1-3-5-11/h1-6,9-10,12,14-15,18,26H,7-8H2,(H2,20,21,22)