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

Systemtic Name: 8-(4-chloranyl-2-methyl-phenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-2-methyl-phenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-2-methylphenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-2-methylphenoxy)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-chloro-2-methyl-phenoxy)-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C21H18ClFN4O3 MolecularWeight: 428.844023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H18ClFN4O3/c1-12-10-14(22)6-9-16(12)30-20-24-18-17(19(28)26(3)21(29)25(18)2)27(20)11-13-4-7-15(23)8-5-13/h4-10H,11H2,1-3H3