[2-acetyloxy-6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexyl] ethanoate

Systemtic Name: [2-acetyloxy-6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexyl] ethanoate Openeye Name: [2-acetoxy-6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)hexyl] acetate CAS Name: acetic acid [2-acetyloxy-6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexyl] ester IUPAC Name: [2-acetyloxy-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexyl] acetate Traditional Name: acetic acid [2-acetoxy-6-(2,6-diketo-3,7-dimethyl-purin-1-yl)hexyl] ester Formula: C17H24N4O6 MolecularWeight: 380.39566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C17H24N4O6/c1-11(22)26-9-13(27-12(2)23)7-5-6-8-21-16(24)14-15(18-10-19(14)3)20(4)17(21)25/h10,13H,5-9H2,1-4H3