2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-(pyridin-3-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-(pyridin-3-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-(3-pyridylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-(3-pyridinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-(pyridin-3-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-(3-pyridylmethyl)pyrimidin-4-one Formula: C31H33ClN4O3S MolecularWeight: 577.13672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CC=C4

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CC=C4

InChI

InChI=1S/C31H33ClN4O3S/c1-35-16-14-23(19-29(35)38)18-26-22-36(21-24-8-7-15-33-20-24)31(34-30(26)39)40-17-6-4-2-3-5-9-28(37)25-10-12-27(32)13-11-25/h7-8,10-16,19-20,22H,2-6,9,17-18,21H2,1H3