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

Systemtic Name: 8-(diphenylmethyl)oxy-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-benzhydryloxy-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(diphenylmethyl)oxy-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-benzhydryloxy-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-benzhydryloxy-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C27H23FN4O3 MolecularWeight: 470.494923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23FN4O3/c1-30-24-22(25(33)31(2)27(30)34)32(17-20-15-9-10-16-21(20)28)26(29-24)35-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,23H,17H2,1-2H3