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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-(4-pyridylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-(pyridin-4-ylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrimidin-4-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-(4-pyridylmethyl)pyrimidin-4-one Formula: C31H35ClN4O2S MolecularWeight: 563.1532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CC=NC=C4

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C31H35ClN4O2S/c1-35-18-15-26(21-29(35)37)20-27-23-36(22-25-13-16-33-17-14-25)31(34-30(27)38)39-19-7-5-3-2-4-6-8-24-9-11-28(32)12-10-24/h9-18,21,23H,2-8,19-20,22H2,1H3