[5-ethanoyl-6-(2-methylpropanoyloxy)-9-oxidanylidene-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl] 2-methylpropanoate

Systemtic Name: [5-ethanoyl-6-(2-methylpropanoyloxy)-9-oxidanylidene-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl] 2-methylpropanoate Openeye Name: [5-acetyl-6-(2-methylpropanoyloxy)-9-oxo-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-acetyl-6-(2-methyl-1-oxopropoxy)-9-oxo-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl] ester IUPAC Name: [5-acetyl-6-(2-methylpropanoyloxy)-9-oxo-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid (5-acetyl-6-isobutyryloxy-9-keto-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl) ester Formula: C17H21N5O6 MolecularWeight: 391.37854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1C(N(C2=NC3=C(C(=O)N12)NC=N3)C(=O)C)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)OC1C(N(C2=NC3=C(C(=O)N12)NC=N3)C(=O)C)OC(=O)C(C)C

InChI

InChI=1S/C17H21N5O6/c1-7(2)15(25)27-13-14(28-16(26)8(3)4)22-12(24)10-11(19-6-18-10)20-17(22)21(13)9(5)23/h6-8,13-14H,1-5H3,(H,18,19)