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

Systemtic Name: 8-(4-butanoylphenoxy)-7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-butanoylphenoxy)-7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]purine-2,6-dione IUPAC Name: 8-(4-butanoylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-butyrylphenoxy)-7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-xanthine Formula: C24H22ClFN4O4 MolecularWeight: 484.907283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H22ClFN4O4/c1-4-6-19(31)14-9-11-15(12-10-14)34-23-27-21-20(22(32)29(3)24(33)28(21)2)30(23)13-16-17(25)7-5-8-18(16)26/h5,7-12H,4,6,13H2,1-3H3