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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-(4-phenylmethoxyphenoxy)purine-2,6-dione Openeye Name: 8-(4-benzyloxyphenoxy)-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-phenylmethoxyphenoxy)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(4-phenylmethoxyphenoxy)purine-2,6-dione Traditional Name: 8-(4-benzoxyphenoxy)-7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-xanthine Formula: C27H22ClFN4O4 MolecularWeight: 520.939383

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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=C(C=CC=C5Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H22ClFN4O4/c1-31-24-23(25(34)32(2)27(31)35)33(15-20-21(28)9-6-10-22(20)29)26(30-24)37-19-13-11-18(12-14-19)36-16-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3