5-[(4-ethoxy-3-methyl-phenyl)methyl]-2-[(4-ethoxy-3-methyl-phenyl)methylsulfanyl]-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-[(4-ethoxy-3-methyl-phenyl)methyl]-2-[(4-ethoxy-3-methyl-phenyl)methylsulfanyl]-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-[(4-ethoxy-3-methyl-phenyl)methyl]-2-[(4-ethoxy-3-methyl-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-[(4-ethoxy-3-methylphenyl)methyl]-2-[(4-ethoxy-3-methylphenyl)methylthio]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-[(4-ethoxy-3-methylphenyl)methyl]-2-[(4-ethoxy-3-methylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-(4-ethoxy-3-methyl-benzyl)-2-[(4-ethoxy-3-methyl-benzyl)thio]-6-keto-1H-pyrimidin-4-olate Formula: C24H27N2O4S- MolecularWeight: 439.54718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC(=C(C=C3)OCC)C)[O-])C

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC(=C(C=C3)OCC)C)[O-])C

InChI

InChI=1S/C24H28N2O4S/c1-5-29-20-9-7-17(11-15(20)3)13-19-22(27)25-24(26-23(19)28)31-14-18-8-10-21(30-6-2)16(4)12-18/h7-12H,5-6,13-14H2,1-4H3,(H2,25,26,27,28)/p-1