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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCC3=CC=CC=C3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCCC3=CC=CC=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4O3/c1-25-19-18(20(28)26(2)22(25)29)27(14-16-10-6-7-11-17(16)23)21(24-19)30-13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3