2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(5-ethanoyl-2-propoxy-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(5-ethanoyl-2-propoxy-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(5-acetyl-2-propoxy-phenyl)methyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-2-[(2,4-dimethylphenyl)methylthio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-(5-acetyl-2-propoxy-benzyl)-2-[(2,4-dimethylbenzyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SCC3=C(C=C(C=C3)C)C)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)SCC3=C(C=C(C=C3)C)C)O

InChI

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