disodium 5-ethyl-6-oxidanylidene-5-pentan-2-yl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: disodium 5-ethyl-6-oxidanylidene-5-pentan-2-yl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: disodium 5-ethyl-5-(1-methylbutyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: disodium 5-ethyl-6-oxo-5-pentan-2-yl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: disodium 5-ethyl-6-oxo-5-pentan-2-yl-2-sulfanylidenepyrimidin-4-olate Traditional Name: disodium 5-ethyl-6-keto-5-(1-methylbutyl)-2-thioxo-pyrimidin-4-olate Formula: C11H17N2Na2O2S+ MolecularWeight: 287.30942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=S)N=C1[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-1