2-[6-(3-chlorophenyl)hexylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[6-(3-chlorophenyl)hexylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[6-(3-chlorophenyl)hexylsulfanyl]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[6-(3-chlorophenyl)hexylthio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[6-(3-chlorophenyl)hexylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[6-(3-chlorophenyl)hexylthio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C22H24ClN3OS MolecularWeight: 413.96346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C22H24ClN3OS/c23-20-10-5-8-17(14-20)7-3-1-2-4-12-28-22-25-16-19(21(27)26-22)13-18-9-6-11-24-15-18/h5-6,8-11,14-16H,1-4,7,12-13H2,(H,25,26,27)