3-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]pteridin-4-one

Systemtic Name: 3-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]pteridin-4-one Openeye Name: 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pteridin-4-one CAS Name: 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pteridinone IUPAC Name: 3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pteridin-4-one Traditional Name: 3-[3-fluoro-5-(trifluoromethyl)benzyl]pteridin-4-one Formula: C14H8F4N4O MolecularWeight: 324.233133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=N1)C(=O)N(C=N2)CC3=CC(=CC(=C3)F)C(F)(F)F

Isomeric SMILES

C1=CN=C2C(=N1)C(=O)N(C=N2)CC3=CC(=CC(=C3)F)C(F)(F)F

InChI

InChI=1S/C14H8F4N4O/c15-10-4-8(3-9(5-10)14(16,17)18)6-22-7-21-12-11(13(22)23)19-1-2-20-12/h1-5,7H,6H2