sodium 5-ethyl-6-oxidanylidene-5-[(2S)-pentan-2-yl]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-ethyl-6-oxidanylidene-5-[(2S)-pentan-2-yl]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-ethyl-5-[(1S)-1-methylbutyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-ethyl-6-oxo-5-[(2S)-pentan-2-yl]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-ethyl-6-oxo-5-[(2S)-pentan-2-yl]-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-ethyl-6-keto-5-[(1S)-1-methylbutyl]-2-thioxo-pyrimidin-4-olate Formula: C11H17N2NaO2S MolecularWeight: 264.31965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O2S.Na/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;+1/p-1/t7-;/m0./s1