[5-[2-azanyl-9-(2-methylpropanoyl)-6-oxidanylidene-3H-purin-9-ium-9-yl]-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate

Systemtic Name: [5-[2-azanyl-9-(2-methylpropanoyl)-6-oxidanylidene-3H-purin-9-ium-9-yl]-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate Openeye Name: [5-[2-amino-9-(2-methylpropanoyl)-6-oxo-3H-purin-9-ium-9-yl]-3-(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-[2-amino-9-(2-methyl-1-oxopropyl)-6-oxo-3H-purin-9-ium-9-yl]-3-(2-methyl-1-oxopropoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-[2-amino-9-(2-methylpropanoyl)-6-oxo-3H-purin-9-ium-9-yl]-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-(2-amino-9-isobutyryl-6-keto-3H-purin-9-ium-9-yl)-3-isobutyryloxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H32N5O7+ MolecularWeight: 478.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)[N+]1(C=NC2=C1NC(=NC2=O)N)C3CC(C(O3)COC(=O)C(C)C)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)[N+]1(C=NC2=C1NC(=NC2=O)N)C3CC(C(O3)COC(=O)C(C)C)OC(=O)C(C)C

InChI

InChI=1S/C22H31N5O7/c1-10(2)19(29)27(9-24-16-17(27)25-22(23)26-18(16)28)15-7-13(34-21(31)12(5)6)14(33-15)8-32-20(30)11(3)4/h9-15H,7-8H2,1-6H3,(H2-,23,25,26,28)/p+1