2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-6-tert-butyl-3-methyl-pyrimidin-4-one

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-6-tert-butyl-3-methyl-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[(3,4-difluorophenyl)methylsulfanyl]-3-methyl-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[(3,4-difluorophenyl)methylthio]-3-methyl-4-pyrimidinone IUPAC Name: 6-tert-butyl-2-[(3,4-difluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one Traditional Name: 6-tert-butyl-2-[(3,4-difluorobenzyl)thio]-3-methyl-pyrimidin-4-one Formula: C16H18F2N2OS MolecularWeight: 324.388726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=CC(=C(C=C2)F)F)C

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=CC(=C(C=C2)F)F)C

InChI

InChI=1S/C16H18F2N2OS/c1-16(2,3)13-8-14(21)20(4)15(19-13)22-9-10-5-6-11(17)12(18)7-10/h5-8H,9H2,1-4H3