2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-[(4-isobutoxyphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-6-methyl-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-5-(4-isobutoxybenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C26H30N2O4S MolecularWeight: 466.5924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC(=C2)C(=O)C)OC)CC3=CC=C(C=C3)OCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC(=C2)C(=O)C)OC)CC3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C26H30N2O4S/c1-16(2)14-32-22-9-6-19(7-10-22)12-23-17(3)27-26(28-25(23)30)33-15-21-13-20(18(4)29)8-11-24(21)31-5/h6-11,13,16H,12,14-15H2,1-5H3,(H,27,28,30)