2-[8-(4-chlorophenyl)octylsulfanyl]-5-(phenylmethyl)-1-(pyridin-3-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-(phenylmethyl)-1-(pyridin-3-ylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(3-pyridylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-5-(phenylmethyl)-1-(3-pyridinylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(pyridin-3-ylmethyl)pyrimidin-4-one Traditional Name: 5-benzyl-2-[8-(4-chlorophenyl)octylthio]-1-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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