8-(2,5-dimethylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2,5-dimethylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(2,5-dimethylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2,5-dimethylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(2,5-dimethylphenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(2,5-dimethylphenoxy)-1-(4-fluorobenzyl)-3,7-dimethyl-xanthine Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O3/c1-13-5-6-14(2)17(11-13)30-21-24-19-18(25(21)3)20(28)27(22(29)26(19)4)12-15-7-9-16(23)10-8-15/h5-11H,12H2,1-4H3