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

Systemtic Name: sodium 5-ethyl-5-pentyl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione Openeye Name: sodium 5-ethyl-5-pentyl-2-thioxo-hexahydropyrimidin-3-ide-4,6-dione CAS Name: sodium 5-ethyl-5-pentyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione IUPAC Name: sodium 5-ethyl-5-pentyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione Traditional Name: sodium 5-amyl-5-ethyl-2-thioxo-hexahydropyrimidin-3-ide-4,6-quinone Formula: C11H17N2NaO2S MolecularWeight: 264.31965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(=O)NC(=S)[N-]C1=O)CC.[Na+]

Isomeric SMILES

CCCCCC1(C(=O)NC(=S)[N-]C1=O)CC.[Na+]

InChI

InChI=1S/C11H18N2O2S.Na/c1-3-5-6-7-11(4-2)8(14)12-10(16)13-9(11)15;/h3-7H2,1-2H3,(H2,12,13,14,15,16);/q;+1/p-1