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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-5-[(4-ethoxyphenyl)methyl]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)thio]-5-(4-ethoxybenzyl)-6-keto-1H-pyrimidin-4-olate Formula: C21H20BrN2O4S- MolecularWeight: 476.3635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4S/c1-3-28-15-7-4-13(5-8-15)10-16-19(25)23-21(24-20(16)26)29-12-14-6-9-18(27-2)17(22)11-14/h4-9,11H,3,10,12H2,1-2H3,(H2,23,24,25,26)/p-1