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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-methyl-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-methyl-5-[(1-methyl-2-oxo-4-pyridyl)methyl]pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-methyl-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-methyl-5-[(1-methyl-2-oxopyridin-4-yl)methyl]pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-methyl-pyrimidin-4-one Formula: C26H30ClN3O3S MolecularWeight: 500.0527

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN3O3S/c1-29-14-13-19(17-24(29)32)16-21-18-30(2)26(28-25(21)33)34-15-7-5-3-4-6-8-23(31)20-9-11-22(27)12-10-20/h9-14,17-18H,3-8,15-16H2,1-2H3