[3-acetyloxy-5-[1-methyl-2,6-bis(oxidanylidene)-3-phenyl-7H-purin-8-yl]phenyl] ethanoate

Systemtic Name: [3-acetyloxy-5-[1-methyl-2,6-bis(oxidanylidene)-3-phenyl-7H-purin-8-yl]phenyl] ethanoate Openeye Name: [3-acetoxy-5-(1-methyl-2,6-dioxo-3-phenyl-7H-purin-8-yl)phenyl] acetate CAS Name: acetic acid [3-acetyloxy-5-(1-methyl-2,6-dioxo-3-phenyl-7H-purin-8-yl)phenyl] ester IUPAC Name: [3-acetyloxy-5-(1-methyl-2,6-dioxo-3-phenyl-7H-purin-8-yl)phenyl] acetate Traditional Name: acetic acid [3-acetoxy-5-(2,6-diketo-1-methyl-3-phenyl-7H-purin-8-yl)phenyl] ester Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C4=CC=CC=C4)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C4=CC=CC=C4)C)OC(=O)C

InChI

InChI=1S/C22H18N4O6/c1-12(27)31-16-9-14(10-17(11-16)32-13(2)28)19-23-18-20(24-19)26(15-7-5-4-6-8-15)22(30)25(3)21(18)29/h4-11H,1-3H3,(H,23,24)