5-ethyl-3-(2-methylphenyl)-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 5-ethyl-3-(2-methylphenyl)-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 5-ethyl-2-methylsulfanyl-3-(o-tolyl)-6-oxo-pyrimidin-4-olate CAS Name: 5-ethyl-3-(2-methylphenyl)-2-(methylthio)-6-oxo-4-pyrimidinolate IUPAC Name: 5-ethyl-3-(2-methylphenyl)-2-methylsulfanyl-6-oxopyrimidin-4-olate Traditional Name: 5-ethyl-6-keto-2-(methylthio)-3-(o-tolyl)pyrimidin-4-olate Formula: C14H15N2O2S- MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SC)C2=CC=CC=C2C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SC)C2=CC=CC=C2C)[O-]

InChI

InChI=1S/C14H16N2O2S/c1-4-10-12(17)15-14(19-3)16(13(10)18)11-8-6-5-7-9(11)2/h5-8,18H,4H2,1-3H3/p-1