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

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-methyl-5-[4-(2-methylpropoxy)phenyl]-1H-pyrimidin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-(4-isobutoxyphenyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-6-methyl-5-[4-(2-methylpropoxy)phenyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-6-methyl-5-[4-(2-methylpropoxy)phenyl]-1H-pyrimidin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-5-(4-isobutoxyphenyl)-6-methyl-1H-pyrimidin-4-one Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H28N2O4S/c1-15(2)13-31-21-9-6-18(7-10-21)23-16(3)26-25(27-24(23)29)32-14-20-12-19(17(4)28)8-11-22(20)30-5/h6-12,15H,13-14H2,1-5H3,(H,26,27,29)