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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-[(5-ethanoyl-2-propoxy-phenyl)methyl]-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-[(5-acetyl-2-propoxy-phenyl)methyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-2-[(2,4-dimethylphenyl)methylthio]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-[(5-acetyl-2-propoxyphenyl)methyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-(5-acetyl-2-propoxy-benzyl)-2-[(2,4-dimethylbenzyl)thio]-6-keto-1H-pyrimidin-4-olate Formula: C25H27N2O4S- MolecularWeight: 451.55788

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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)/p-1