sodium 2-methylsulfanyl-5-phenylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: sodium 2-methylsulfanyl-5-phenylsulfanyl-pyrimidine-4-carboxylate Openeye Name: sodium 2-methylsulfanyl-5-phenylsulfanyl-pyrimidine-4-carboxylate CAS Name: sodium 2-(methylthio)-5-(phenylthio)-4-pyrimidinecarboxylate IUPAC Name: sodium 2-methylsulfanyl-5-phenylsulfanylpyrimidine-4-carboxylate Traditional Name: sodium 2-(methylthio)-5-(phenylthio)pyrimidine-4-carboxylate Formula: C12H9N2NaO2S2 MolecularWeight: 300.33183

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)[O-])SC2=CC=CC=C2.[Na+]

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)[O-])SC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C12H10N2O2S2.Na/c1-17-12-13-7-9(10(14-12)11(15)16)18-8-5-3-2-4-6-8;/h2-7H,1H3,(H,15,16);/q;+1/p-1