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

Systemtic Name: 2-[8-(4-methoxyphenyl)-8-oxidanylidene-octyl]sulfanyl-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-methoxyphenyl)-8-oxo-octyl]sulfanyl-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[[8-(4-methoxyphenyl)-8-oxooctyl]thio]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-methoxyphenyl)-8-oxooctyl]sulfanyl-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[[8-keto-8-(4-methoxyphenyl)octyl]thio]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3S/c1-19-9-10-20(17-27-19)16-22-18-28-26(29-25(22)31)33-15-7-5-3-4-6-8-24(30)21-11-13-23(32-2)14-12-21/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,28,29,31)