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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-phenyl-pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-phenyl-pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-phenyl-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-phenylpyrimidin-4-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-phenyl-pyrimidin-4-one Formula: C31H34ClN3O2S MolecularWeight: 548.13856

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C31H34ClN3O2S/c1-34-19-18-25(22-29(34)36)21-26-23-35(28-12-8-6-9-13-28)31(33-30(26)37)38-20-10-5-3-2-4-7-11-24-14-16-27(32)17-15-24/h6,8-9,12-19,22-23H,2-5,7,10-11,20-21H2,1H3