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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-8-[3-(1-imidazolyl)propylamino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-xanthine Formula: C20H22FN7O2 MolecularWeight: 411.432783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN7O2/c1-25-17-16(18(29)26(2)20(25)30)28(12-14-4-6-15(21)7-5-14)19(24-17)23-8-3-10-27-11-9-22-13-27/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,23,24)