5-ethyl-2-methylsulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-2-methylsulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-ethyl-2-methylsulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-ethyl-2-(methylthio)-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-ethyl-2-methylsulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-ethyl-6-keto-2-(methylthio)-3-phenyl-pyrimidin-4-olate Formula: C13H13N2O2S- MolecularWeight: 261.31952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SC)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SC)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H14N2O2S/c1-3-10-11(16)14-13(18-2)15(12(10)17)9-7-5-4-6-8-9/h4-8,17H,3H2,1-2H3/p-1