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

Systemtic Name: sodium 5-ethyl-5-hexyl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione Openeye Name: sodium 5-ethyl-5-hexyl-2-thioxo-hexahydropyrimidin-3-ide-4,6-dione CAS Name: sodium 5-ethyl-5-hexyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione IUPAC Name: sodium 5-ethyl-5-hexyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione Traditional Name: sodium 5-ethyl-5-hexyl-2-thioxo-hexahydropyrimidin-3-ide-4,6-quinone Formula: C12H19N2NaO2S MolecularWeight: 278.34623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(=O)NC(=S)[N-]C1=O)CC.[Na+]

Isomeric SMILES

CCCCCCC1(C(=O)NC(=S)[N-]C1=O)CC.[Na+]

InChI

InChI=1S/C12H20N2O2S.Na/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16;/h3-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1