2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3,5,6-trimethyl-pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3,5,6-trimethyl-pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3,5,6-trimethyl-pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3,5,6-trimethyl-4-pyrimidinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3,5,6-trimethylpyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3,5,6-trimethyl-pyrimidin-4-one Formula: C14H14ClFN2OS MolecularWeight: 312.790163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N(C1=O)C)SCC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CC1=C(N=C(N(C1=O)C)SCC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C14H14ClFN2OS/c1-8-9(2)17-14(18(3)13(8)19)20-7-10-11(15)5-4-6-12(10)16/h4-6H,7H2,1-3H3