2-[2,5-bis(fluoranyl)phenyl]-7-[(3-phenylmethoxyphenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]-7-[(3-phenylmethoxyphenyl)methyl]-3H-purin-6-one Openeye Name: 7-[(3-benzyloxyphenyl)methyl]-2-(2,5-difluorophenyl)-3H-purin-6-one CAS Name: 2-(2,5-difluorophenyl)-7-[(3-phenylmethoxyphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-(2,5-difluorophenyl)-7-[(3-phenylmethoxyphenyl)methyl]-3H-purin-6-one Traditional Name: 7-(3-benzoxybenzyl)-2-(2,5-difluorophenyl)-3H-purin-6-one Formula: C25H18F2N4O2 MolecularWeight: 444.432826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)CN3C=NC4=C3C(=O)N=C(N4)C5=C(C=CC(=C5)F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)CN3C=NC4=C3C(=O)N=C(N4)C5=C(C=CC(=C5)F)F

InChI

InChI=1S/C25H18F2N4O2/c26-18-9-10-21(27)20(12-18)23-29-24-22(25(32)30-23)31(15-28-24)13-17-7-4-8-19(11-17)33-14-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H,29,30,32)