2-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-8H-pteridin-7-one

Systemtic Name: 2-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-8H-pteridin-7-one Openeye Name: 2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]-8H-pteridin-7-one CAS Name: 2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylthio]-8H-pteridin-7-one IUPAC Name: 2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]-8H-pteridin-7-one Traditional Name: 2-[[2-fluoro-3-(trifluoromethyl)benzyl]thio]-8H-pteridin-7-one Formula: C14H8F4N4OS MolecularWeight: 356.298133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(F)(F)F)F)CSC2=NC=C3C(=N2)NC(=O)C=N3

Isomeric SMILES

C1=CC(=C(C(=C1)C(F)(F)F)F)CSC2=NC=C3C(=N2)NC(=O)C=N3

InChI

InChI=1S/C14H8F4N4OS/c15-11-7(2-1-3-8(11)14(16,17)18)6-24-13-20-4-9-12(22-13)21-10(23)5-19-9/h1-5H,6H2,(H,20,21,22,23)