1-[2-fluoranyl-4-[2-(methylaminomethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one

Systemtic Name: 1-[2-fluoranyl-4-[2-(methylaminomethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one Openeye Name: 1-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one CAS Name: 1-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-7-(4-methoxyphenyl)-6-purinone IUPAC Name: 1-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one Traditional Name: 1-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-7-(4-methoxyphenyl)purin-6-one Formula: C26H22FN5O2 MolecularWeight: 455.483583

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=CC=C1C2=CC(=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=C(C=C5)OC)F

Isomeric SMILES

CNCC1=CC=CC=C1C2=CC(=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=C(C=C5)OC)F

InChI

InChI=1S/C26H22FN5O2/c1-28-14-18-5-3-4-6-21(18)17-7-12-23(22(27)13-17)32-16-30-25-24(26(32)33)31(15-29-25)19-8-10-20(34-2)11-9-19/h3-13,15-16,28H,14H2,1-2H3