2-phenyl-7-[[3-(trifluoromethyl)phenyl]methyl]-3H-purin-6-one

Systemtic Name: 2-phenyl-7-[[3-(trifluoromethyl)phenyl]methyl]-3H-purin-6-one Openeye Name: 2-phenyl-7-[[3-(trifluoromethyl)phenyl]methyl]-3H-purin-6-one CAS Name: 2-phenyl-7-[[3-(trifluoromethyl)phenyl]methyl]-3H-purin-6-one IUPAC Name: 2-phenyl-7-[[3-(trifluoromethyl)phenyl]methyl]-3H-purin-6-one Traditional Name: 2-phenyl-7-[3-(trifluoromethyl)benzyl]-3H-purin-6-one Formula: C19H13F3N4O MolecularWeight: 370.32793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H13F3N4O/c20-19(21,22)14-8-4-5-12(9-14)10-26-11-23-17-15(26)18(27)25-16(24-17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,24,25,27)