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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(4-phenylmethoxyphenoxy)purine-2,6-dione Openeye Name: 8-(4-benzyloxyphenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(4-phenylmethoxyphenoxy)purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(4-phenylmethoxyphenoxy)purine-2,6-dione Traditional Name: 8-(4-benzoxyphenoxy)-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C27H23FN4O4 MolecularWeight: 486.494323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5F

InChI

InChI=1S/C27H23FN4O4/c1-30-24-23(25(33)31(2)27(30)34)32(16-19-10-6-7-11-22(19)28)26(29-24)36-21-14-12-20(13-15-21)35-17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3