2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C12H11FN2OS MolecularWeight: 250.291943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN2OS/c1-8-5-11(16)15-12(14-8)17-7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3,(H,14,15,16)