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

Systemtic Name: (6-acetyloxy-5-ethanoyl-9-oxidanylidene-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl) ethanoate Openeye Name: (6-acetoxy-5-acetyl-9-oxo-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl) acetate CAS Name: acetic acid (5-acetyl-6-acetyloxy-9-oxo-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl) ester IUPAC Name: (5-acetyl-6-acetyloxy-9-oxo-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl) acetate Traditional Name: acetic acid (6-acetoxy-5-acetyl-9-keto-6,7-dihydro-1H-imidazo[1,2-a]purin-7-yl) ester Formula: C13H13N5O6 MolecularWeight: 335.27222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(N2C1=NC3=C(C2=O)NC=N3)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N1C(C(N2C1=NC3=C(C2=O)NC=N3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C13H13N5O6/c1-5(19)17-11(23-6(2)20)12(24-7(3)21)18-10(22)8-9(15-4-14-8)16-13(17)18/h4,11-12H,1-3H3,(H,14,15)