disodium 5-ethyl-5-pentan-2-yl-2-sulfanylidene-pyrimidine-4,6-diolate

Systemtic Name: disodium 5-ethyl-5-pentan-2-yl-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: disodium 5-ethyl-5-(1-methylbutyl)-2-thioxo-pyrimidine-4,6-diolate CAS Name: disodium 5-ethyl-5-pentan-2-yl-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: disodium 5-ethyl-5-pentan-2-yl-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: disodium 5-ethyl-5-(1-methylbutyl)-2-thioxo-pyrimidine-4,6-diolate Formula: C11H16N2Na2O2S MolecularWeight: 286.30148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O2S.2Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);;/q;2*+1/p-2