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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CC=NC=C4

InChI

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