2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-methyl-5-[(1-methyl-4-pyrazolyl)methyl]-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Formula: C17H17FN4OS MolecularWeight: 344.406483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN(N=C3)C

Isomeric SMILES

CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN(N=C3)C

InChI

InChI=1S/C17H17FN4OS/c1-21-10-14(7-13-8-19-22(2)9-13)16(23)20-17(21)24-11-12-3-5-15(18)6-4-12/h3-6,8-10H,7,11H2,1-2H3