[6-acetyloxy-5-ethanoyl-9-oxidanylidene-1-(phenylmethyl)-6,7-dihydroimidazo[1,2-a]purin-7-yl] ethanoate

Systemtic Name: [6-acetyloxy-5-ethanoyl-9-oxidanylidene-1-(phenylmethyl)-6,7-dihydroimidazo[1,2-a]purin-7-yl] ethanoate Openeye Name: (6-acetoxy-5-acetyl-1-benzyl-9-oxo-6,7-dihydroimidazo[1,2-a]purin-7-yl) acetate CAS Name: acetic acid [5-acetyl-6-acetyloxy-9-oxo-1-(phenylmethyl)-6,7-dihydroimidazo[1,2-a]purin-7-yl] ester IUPAC Name: (5-acetyl-6-acetyloxy-1-benzyl-9-oxo-6,7-dihydroimidazo[1,2-a]purin-7-yl) acetate Traditional Name: acetic acid (6-acetoxy-5-acetyl-1-benzyl-9-keto-6,7-dihydroimidazo[1,2-a]purin-7-yl) ester Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(N2C1=NC3=C(C2=O)N(C=N3)CC4=CC=CC=C4)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N1C(C(N2C1=NC3=C(C2=O)N(C=N3)CC4=CC=CC=C4)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H19N5O6/c1-11(26)24-18(30-12(2)27)19(31-13(3)28)25-17(29)15-16(22-20(24)25)21-10-23(15)9-14-7-5-4-6-8-14/h4-8,10,18-19H,9H2,1-3H3