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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-8-[(3-methoxyphenyl)methoxy]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-8-[(3-methoxyphenyl)methoxy]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-8-[(3-methoxyphenyl)methoxy]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-8-[(3-methoxyphenyl)methoxy]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-fluorobenzyl)-8-m-anisyloxy-3,7-dimethyl-xanthine Formula: C22H21FN4O4 MolecularWeight: 424.424943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CC(=CC=C3)OC)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CC(=CC=C3)OC)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H21FN4O4/c1-25-18-19(24-21(25)31-13-15-5-4-6-17(11-15)30-3)26(2)22(29)27(20(18)28)12-14-7-9-16(23)10-8-14/h4-11H,12-13H2,1-3H3