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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C25H30ClN3OS MolecularWeight: 456.0432

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3OS/c1-19-9-10-21(17-27-19)16-22-18-28-25(29-24(22)30)31-15-7-5-3-2-4-6-8-20-11-13-23(26)14-12-20/h9-14,17-18H,2-8,15-16H2,1H3,(H,28,29,30)