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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-1-phenethyl-pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-1-phenethyl-pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1-phenethyl-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-1-phenethylpyrimidin-4-one Traditional Name: 2-[8-(4-chlorophenyl)octylthio]-5-[(2-keto-1-methyl-4-pyridyl)methyl]-1-phenethyl-pyrimidin-4-one Formula: C33H38ClN3O2S MolecularWeight: 576.19172

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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)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=CC(=CC1=O)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C33H38ClN3O2S/c1-36-20-18-28(24-31(36)38)23-29-25-37(21-19-26-11-8-6-9-12-26)33(35-32(29)39)40-22-10-5-3-2-4-7-13-27-14-16-30(34)17-15-27/h6,8-9,11-12,14-18,20,24-25H,2-5,7,10,13,19,21-23H2,1H3