2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-(pyridin-4-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-4-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-(4-pyridylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-(pyridin-4-ylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C31H33ClN4O3S/c1-35-17-14-24(20-29(35)38)19-26-22-36(21-23-12-15-33-16-13-23)31(34-30(26)39)40-18-6-4-2-3-5-7-28(37)25-8-10-27(32)11-9-25/h8-17,20,22H,2-7,18-19,21H2,1H3