3,6-dimethyl-5-(phenylmethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-5-(phenylmethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one Openeye Name: 5-benzyl-3,6-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one CAS Name: 3,6-dimethyl-5-(phenylmethyl)-2-[[2-(trifluoromethyl)phenyl]methylthio]-4-pyrimidinone IUPAC Name: 5-benzyl-3,6-dimethyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-one Traditional Name: 5-benzyl-3,6-dimethyl-2-[[2-(trifluoromethyl)benzyl]thio]pyrimidin-4-one Formula: C21H19F3N2OS MolecularWeight: 404.44857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC=C2C(F)(F)F)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=CC=C2C(F)(F)F)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H19F3N2OS/c1-14-17(12-15-8-4-3-5-9-15)19(27)26(2)20(25-14)28-13-16-10-6-7-11-18(16)21(22,23)24/h3-11H,12-13H2,1-2H3