8-(4-butanoylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-butanoylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-butanoylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione IUPAC Name: 8-(4-butanoylphenoxy)-7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-butyrylphenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-xanthine Formula: C28H32N4O6 MolecularWeight: 520.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC(=C(C=C4)OCC)OCC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC(=C(C=C4)OCC)OCC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C28H32N4O6/c1-6-9-21(33)19-11-13-20(14-12-19)38-27-29-25-24(26(34)31(5)28(35)30(25)4)32(27)17-18-10-15-22(36-7-2)23(16-18)37-8-3/h10-16H,6-9,17H2,1-5H3