sodium 5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: sodium 5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: sodium 5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: sodium 5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: sodium 5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: sodium 5-carbethoxy-2-(methylthio)pyrimidin-4-olate Formula: C8H9N2NaO3S MolecularWeight: 236.22343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1[O-])SC.[Na+]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1[O-])SC.[Na+]

InChI

InChI=1S/C8H10N2O3S.Na/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11;/h4H,3H2,1-2H3,(H,9,10,11);/q;+1/p-1