5-[7-(4-chlorophenyl)sulfanylheptylsulfinyl]-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[7-(4-chlorophenyl)sulfanylheptylsulfinyl]-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-[7-(4-chlorophenyl)sulfanylheptylsulfinyl]-2-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 5-[7-[(4-chlorophenyl)thio]heptylsulfinyl]-2-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-[7-(4-chlorophenyl)sulfanylheptylsulfinyl]-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 5-[7-[(4-chlorophenyl)thio]heptylsulfinyl]-2-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C23H26ClN3O2S2 MolecularWeight: 476.05444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NC=C(C(=O)N2)S(=O)CCCCCCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CC2=NC=C(C(=O)N2)S(=O)CCCCCCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3O2S2/c24-19-8-10-20(11-9-19)30-13-4-2-1-3-5-14-31(29)21-17-26-22(27-23(21)28)15-18-7-6-12-25-16-18/h6-12,16-17H,1-5,13-15H2,(H,26,27,28)