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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C24H28ClN3OS MolecularWeight: 442.01662

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3OS/c25-22-12-10-19(11-13-22)8-5-3-1-2-4-6-15-30-24-27-18-21(23(29)28-24)16-20-9-7-14-26-17-20/h7,9-14,17-18H,1-6,8,15-16H2,(H,27,28,29)