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

Systemtic Name: 5-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-2-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 5-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-2-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 5-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-2-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 5-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-2-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-2-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C25H28ClN3O2S MolecularWeight: 470.02672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=NC=C(C(=O)N2)SCCCCCCCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC=C(C=C1)CC2=NC=C(C(=O)N2)SCCCCCCCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H28ClN3O2S/c1-18-8-9-19(16-27-18)15-24-28-17-23(25(31)29-24)32-14-6-4-2-3-5-7-22(30)20-10-12-21(26)13-11-20/h8-13,16-17H,2-7,14-15H2,1H3,(H,28,29,31)