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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-8-(2-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-8-(2-methoxyphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-8-(2-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-8-(2-methoxyphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-8-(2-methoxyphenoxy)-1,3-dimethyl-xanthine Formula: C21H19FN4O4 MolecularWeight: 410.398363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3OC)CC4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3OC)CC4=CC=CC=C4F

InChI

InChI=1S/C21H19FN4O4/c1-24-18-17(19(27)25(2)21(24)28)26(12-13-8-4-5-9-14(13)22)20(23-18)30-16-11-7-6-10-15(16)29-3/h4-11H,12H2,1-3H3