2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-[(1-methyl-2-oxo-4-pyridyl)methyl]pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-methyl-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-methyl-5-[(1-methyl-2-oxopyridin-4-yl)methyl]pyrimidin-4-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-methyl-pyrimidin-4-one Formula: C26H32ClN3O2S MolecularWeight: 486.06918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C26H32ClN3O2S/c1-29-15-14-21(18-24(29)31)17-22-19-30(2)26(28-25(22)32)33-16-8-6-4-3-5-7-9-20-10-12-23(27)13-11-20/h10-15,18-19H,3-9,16-17H2,1-2H3