5-[8-(4-methylphenyl)-8-oxidanylidene-octyl]sulfanyl-2-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 5-[8-(4-methylphenyl)-8-oxidanylidene-octyl]sulfanyl-2-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[(6-methyl-3-pyridyl)methyl]-5-[8-oxo-8-(p-tolyl)octyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 5-[[8-(4-methylphenyl)-8-oxooctyl]thio]-2-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 5-[8-(4-methylphenyl)-8-oxooctyl]sulfanyl-2-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-[[8-keto-8-(p-tolyl)octyl]thio]-2-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCCCCCCSC2=CN=C(NC2=O)CC3=CN=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCCCCCCSC2=CN=C(NC2=O)CC3=CN=C(C=C3)C

InChI

InChI=1S/C26H31N3O2S/c1-19-9-13-22(14-10-19)23(30)8-6-4-3-5-7-15-32-24-18-28-25(29-26(24)31)16-21-12-11-20(2)27-17-21/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,28,29,31)