2-[(4-fluorophenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-3,6-dimethyl-pyrimidin-4-one Formula: C13H13FN2OS MolecularWeight: 264.318523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C13H13FN2OS/c1-9-7-12(17)16(2)13(15-9)18-8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3