2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(5-acetyl-2-ethoxy-phenyl)methyl]-2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-[(3-bromo-4-methoxyphenyl)methylthio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 5-[(5-acetyl-2-ethoxyphenyl)methyl]-2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-(5-acetyl-2-ethoxy-benzyl)-2-[(3-bromo-4-methoxy-benzyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C23H23BrN2O5S MolecularWeight: 519.40812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SCC3=CC(=C(C=C3)OC)Br)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SCC3=CC(=C(C=C3)OC)Br)O

InChI

InChI=1S/C23H23BrN2O5S/c1-4-31-19-8-6-15(13(2)27)10-16(19)11-17-21(28)25-23(26-22(17)29)32-12-14-5-7-20(30-3)18(24)9-14/h5-10H,4,11-12H2,1-3H3,(H2,25,26,28,29)