[1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-3-methyl-2-oxidanylidene-butyl] benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)C4=CC=CC=C4

InChI

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