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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-8-(4-hexoxyphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-8-(4-hexoxyphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-8-(4-hexoxyphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-8-(4-hexoxyphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-8-(4-hexoxyphenoxy)-1,3-dimethyl-xanthine Formula: C26H29FN4O4 MolecularWeight: 480.531263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C26H29FN4O4/c1-4-5-6-9-16-34-19-12-14-20(15-13-19)35-25-28-23-22(24(32)30(3)26(33)29(23)2)31(25)17-18-10-7-8-11-21(18)27/h7-8,10-15H,4-6,9,16-17H2,1-3H3