2-[8-(4-methoxyphenyl)octylsulfanyl]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[8-(4-methoxyphenyl)octylsulfanyl]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-methoxyphenyl)octylsulfanyl]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[8-(4-methoxyphenyl)octylthio]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-methoxyphenyl)octylsulfanyl]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[8-(4-methoxyphenyl)octylthio]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H33N3O2S/c1-20-10-11-22(18-27-20)17-23-19-28-26(29-25(23)30)32-16-8-6-4-3-5-7-9-21-12-14-24(31-2)15-13-21/h10-15,18-19H,3-9,16-17H2,1-2H3,(H,28,29,30)