2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one CAS Name: 2-[(3-fluorophenyl)methylthio]-5-methyl-1H-pyrimidin-6-one IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one Traditional Name: 2-[(3-fluorobenzyl)thio]-5-methyl-1H-pyrimidin-6-one Formula: C12H11FN2OS MolecularWeight: 250.291943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(NC1=O)SCC2=CC(=CC=C2)F

Isomeric SMILES

CC1=CN=C(NC1=O)SCC2=CC(=CC=C2)F

InChI

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