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

Systemtic Name: 6-tert-butyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-methyl-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-methyl-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[(2-chloro-6-fluorophenyl)methylthio]-3-methyl-4-pyrimidinone IUPAC Name: 6-tert-butyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one Traditional Name: 6-tert-butyl-2-[(2-chloro-6-fluoro-benzyl)thio]-3-methyl-pyrimidin-4-one Formula: C16H18ClFN2OS MolecularWeight: 340.843323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(C(=N1)SCC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C16H18ClFN2OS/c1-16(2,3)13-8-14(21)20(4)15(19-13)22-9-10-11(17)6-5-7-12(10)18/h5-8H,9H2,1-4H3