[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 3,3-dimethyl-2-phenoxy-butanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 3,3-dimethyl-2-phenoxy-butanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 3,3-dimethyl-2-phenoxy-butanoate CAS Name: 3,3-dimethyl-2-phenoxybutanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl 3,3-dimethyl-2-phenoxybutanoate Traditional Name: 3,3-dimethyl-2-phenoxy-butyric acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(C(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O6/c1-22(2,3)17(32-12-7-5-4-6-8-12)20(30)31-10-14-13(28)9-15(33-14)27-11-24-16-18(27)25-21(23)26-19(16)29/h4-8,11,13-15,17,28H,9-10H2,1-3H3,(H3,23,25,26,29)