2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-6-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-6-methyl-5-(2,4,6-trimethylbenzyl)-1H-pyrimidin-4-one Formula: C22H23FN2OS MolecularWeight: 382.494223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C)C

InChI

InChI=1S/C22H23FN2OS/c1-13-9-14(2)19(15(3)10-13)11-20-16(4)24-22(25-21(20)26)27-12-17-5-7-18(23)8-6-17/h5-10H,11-12H2,1-4H3,(H,24,25,26)