2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C25H28ClN3O3S MolecularWeight: 486.02612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O3S/c1-29-13-12-18(16-23(29)31)15-20-17-27-25(28-24(20)32)33-14-6-4-2-3-5-7-22(30)19-8-10-21(26)11-9-19/h8-13,16-17H,2-7,14-15H2,1H3,(H,27,28,32)