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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-phenethyl-5-(pyridin-3-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-phenethyl-5-(3-pyridylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-phenethyl-5-(3-pyridinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-phenethyl-5-(pyridin-3-ylmethyl)pyrimidin-4-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-1-phenethyl-5-(3-pyridylmethyl)pyrimidin-4-one Formula: C32H36ClN3OS MolecularWeight: 546.16574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CN=CC=C4

InChI

InChI=1S/C32H36ClN3OS/c33-30-17-15-27(16-18-30)13-6-3-1-2-4-9-22-38-32-35-31(37)29(23-28-14-10-20-34-24-28)25-36(32)21-19-26-11-7-5-8-12-26/h5,7-8,10-12,14-18,20,24-25H,1-4,6,9,13,19,21-23H2