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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[[2-(phenylmethyl)pyrimidin-5-yl]methyl]-1H-pyrimidin-6-one Openeye Name: 5-[(2-benzylpyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[[2-(phenylmethyl)-5-pyrimidinyl]methyl]-1H-pyrimidin-6-one IUPAC Name: 5-[(2-benzylpyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-[(2-benzylpyrimidin-5-yl)methyl]-2-[(4-fluorobenzyl)thio]-1H-pyrimidin-6-one Formula: C23H19FN4OS MolecularWeight: 418.486563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC=C(C=N2)CC3=CN=C(NC3=O)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC=C(C=N2)CC3=CN=C(NC3=O)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H19FN4OS/c24-20-8-6-17(7-9-20)15-30-23-27-14-19(22(29)28-23)10-18-12-25-21(26-13-18)11-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,27,28,29)