2-[8-(4-chlorophenyl)octylsulfanyl]-5-(phenylmethyl)-1-(pyridin-2-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-(phenylmethyl)-1-(pyridin-2-ylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(2-pyridylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-5-(phenylmethyl)-1-(2-pyridinylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(pyridin-2-ylmethyl)pyrimidin-4-one Traditional Name: 5-benzyl-2-[8-(4-chlorophenyl)octylthio]-1-(2-pyridylmethyl)pyrimidin-4-one Formula: C31H34ClN3OS MolecularWeight: 532.13916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CC=CC=N4

InChI

InChI=1S/C31H34ClN3OS/c32-28-18-16-25(17-19-28)12-6-3-1-2-4-11-21-37-31-34-30(36)27(22-26-13-7-5-8-14-26)23-35(31)24-29-15-9-10-20-33-29/h5,7-10,13-20,23H,1-4,6,11-12,21-22,24H2