1-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluoranyl-phenyl]-7-(4-methoxyphenyl)purin-6-one

Systemtic Name: 1-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluoranyl-phenyl]-7-(4-methoxyphenyl)purin-6-one Openeye Name: 1-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluoro-phenyl]-7-(4-methoxyphenyl)purin-6-one CAS Name: 1-[4-[2-(dimethylaminomethyl)-1-imidazolyl]-2-fluorophenyl]-7-(4-methoxyphenyl)-6-purinone IUPAC Name: 1-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluorophenyl]-7-(4-methoxyphenyl)purin-6-one Traditional Name: 1-[4-[2-(dimethylaminomethyl)imidazol-1-yl]-2-fluoro-phenyl]-7-(4-methoxyphenyl)purin-6-one Formula: C24H22FN7O2 MolecularWeight: 459.475583

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=C(C=C5)OC)F

Isomeric SMILES

CN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=C(C=C5)OC)F

InChI

InChI=1S/C24H22FN7O2/c1-29(2)13-21-26-10-11-30(21)17-6-9-20(19(25)12-17)32-15-28-23-22(24(32)33)31(14-27-23)16-4-7-18(34-3)8-5-16/h4-12,14-15H,13H2,1-3H3