2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C22H17F3N4OS MolecularWeight: 442.45679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C22H17F3N4OS/c1-13-10-14(2)27-21(26-13)31-12-19-28-18-9-4-3-8-17(18)20(30)29(19)16-7-5-6-15(11-16)22(23,24)25/h3-11H,12H2,1-2H3