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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanyl-octyl]sulfanyl-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-chlorophenyl)-8-hydroxy-octyl]sulfanyl-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[[8-(4-chlorophenyl)-8-hydroxyoctyl]thio]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-chlorophenyl)-8-hydroxyoctyl]sulfanyl-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-hydroxy-octyl]thio]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C25H30ClN3O2S MolecularWeight: 472.0426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O2S/c1-18-8-9-19(16-27-18)15-21-17-28-25(29-24(21)31)32-14-6-4-2-3-5-7-23(30)20-10-12-22(26)13-11-20/h8-13,16-17,23,30H,2-7,14-15H2,1H3,(H,28,29,31)