[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)oxolan-3-yl] benzoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)oxolan-3-yl] benzoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-2-[(2-methyl-1-oxopropoxy)methyl]-3-oxolanyl] ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [5-(2-amino-6-keto-3H-purin-9-yl)-2-(isobutyryloxymethyl)tetrahydrofuran-3-yl] ester Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O6/c1-11(2)19(28)30-9-14-13(32-20(29)12-6-4-3-5-7-12)8-15(31-14)26-10-23-16-17(26)24-21(22)25-18(16)27/h3-7,10-11,13-15H,8-9H2,1-2H3,(H3,22,24,25,27)