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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(homoveratrylamino)-1,3-dimethyl-xanthine Formula: C24H26FN5O4 MolecularWeight: 467.492743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC(=C(C=C3)OC)OC)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC(=C(C=C3)OC)OC)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN5O4/c1-28-21-20(22(31)29(2)24(28)32)30(14-16-5-8-17(25)9-6-16)23(27-21)26-12-11-15-7-10-18(33-3)19(13-15)34-4/h5-10,13H,11-12,14H2,1-4H3,(H,26,27)