sodium 5-ethyl-5-phenethyl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione

Systemtic Name: sodium 5-ethyl-5-phenethyl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione Openeye Name: sodium 5-ethyl-5-phenethyl-2-thioxo-hexahydropyrimidin-3-ide-4,6-dione CAS Name: sodium 5-ethyl-5-phenethyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione IUPAC Name: sodium 5-ethyl-5-phenethyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione Traditional Name: sodium 5-ethyl-5-phenethyl-2-thioxo-hexahydropyrimidin-3-ide-4,6-quinone Formula: C14H15N2NaO2S MolecularWeight: 298.33587

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=S)[N-]C1=O)CCC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCC1(C(=O)NC(=S)[N-]C1=O)CCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C14H16N2O2S.Na/c1-2-14(9-8-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18;/h3-7H,2,8-9H2,1H3,(H2,15,16,17,18,19);/q;+1/p-1