2-[8-(3,4-dichlorophenyl)octylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[8-(3,4-dichlorophenyl)octylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[8-(3,4-dichlorophenyl)octylsulfanyl]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[8-(3,4-dichlorophenyl)octylthio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[8-(3,4-dichlorophenyl)octylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[8-(3,4-dichlorophenyl)octylthio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C24H27Cl2N3OS MolecularWeight: 476.46168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27Cl2N3OS/c25-21-11-10-18(15-22(21)26)8-5-3-1-2-4-6-13-31-24-28-17-20(23(30)29-24)14-19-9-7-12-27-16-19/h7,9-12,15-17H,1-6,8,13-14H2,(H,28,29,30)