2-[(4-fluorophenyl)methylsulfanyl]-5-(3-methylbutyl)-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(3-methylbutyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-isopentyl-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-4-hydroxy-5-(3-methylbutyl)-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-(3-methylbutyl)-1H-pyrimidin-6-one Traditional Name: 2-[(4-fluorobenzyl)thio]-4-hydroxy-5-isoamyl-1H-pyrimidin-6-one Formula: C16H19FN2O2S MolecularWeight: 322.397663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)F)O

Isomeric SMILES

CC(C)CCC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)F)O

InChI

InChI=1S/C16H19FN2O2S/c1-10(2)3-8-13-14(20)18-16(19-15(13)21)22-9-11-4-6-12(17)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H2,18,19,20,21)