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

Systemtic Name: 8-(4-butanoylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-butanoylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione IUPAC Name: 8-(4-butanoylphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-butyrylphenoxy)-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C24H23FN4O4 MolecularWeight: 450.462223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H23FN4O4/c1-4-7-19(30)15-10-12-17(13-11-15)33-23-26-21-20(22(31)28(3)24(32)27(21)2)29(23)14-16-8-5-6-9-18(16)25/h5-6,8-13H,4,7,14H2,1-3H3