2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-oxidanylidene-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-4-olate

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-oxidanylidene-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-4-olate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-6-oxo-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-4-olate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-6-oxo-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-4-olate IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-6-oxo-5-[(4-propoxyphenyl)methyl]-1H-pyrimidin-4-olate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-6-keto-5-(4-propoxybenzyl)-1H-pyrimidin-4-olate Formula: C24H25N2O5S- MolecularWeight: 453.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=C(C=CC(=C3)C(=O)C)OC)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=C(C=CC(=C3)C(=O)C)OC)[O-]

InChI

InChI=1S/C24H26N2O5S/c1-4-11-31-19-8-5-16(6-9-19)12-20-22(28)25-24(26-23(20)29)32-14-18-13-17(15(2)27)7-10-21(18)30-3/h5-10,13H,4,11-12,14H2,1-3H3,(H2,25,26,28,29)/p-1