9-[2,6-bis(fluoranyl)phenyl]-6-(2-methylphenyl)-7H-purin-8-one

Systemtic Name: 9-[2,6-bis(fluoranyl)phenyl]-6-(2-methylphenyl)-7H-purin-8-one Openeye Name: 9-(2,6-difluorophenyl)-6-(o-tolyl)-7H-purin-8-one CAS Name: 9-(2,6-difluorophenyl)-6-(2-methylphenyl)-7H-purin-8-one IUPAC Name: 9-(2,6-difluorophenyl)-6-(2-methylphenyl)-7H-purin-8-one Traditional Name: 9-(2,6-difluorophenyl)-6-(o-tolyl)-7H-purin-8-one Formula: C18H12F2N4O MolecularWeight: 338.310886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C(=NC=N2)N(C(=O)N3)C4=C(C=CC=C4F)F

Isomeric SMILES

CC1=CC=CC=C1C2=C3C(=NC=N2)N(C(=O)N3)C4=C(C=CC=C4F)F

InChI

InChI=1S/C18H12F2N4O/c1-10-5-2-3-6-11(10)14-15-17(22-9-21-14)24(18(25)23-15)16-12(19)7-4-8-13(16)20/h2-9H,1H3,(H,23,25)