sodium 5-(3-butylsulfanylpropyl)-5-ethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-(3-butylsulfanylpropyl)-5-ethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-(3-butylsulfanylpropyl)-5-ethyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-[3-(butylthio)propyl]-5-ethyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-(3-butylsulfanylpropyl)-5-ethyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-[3-(butylthio)propyl]-5-ethyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C13H21N2NaO2S2 MolecularWeight: 324.43781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCC1(C(=O)NC(=S)N=C1[O-])CC.[Na+]

Isomeric SMILES

CCCCSCCCC1(C(=O)NC(=S)N=C1[O-])CC.[Na+]

InChI

InChI=1S/C13H22N2O2S2.Na/c1-3-5-8-19-9-6-7-13(4-2)10(16)14-12(18)15-11(13)17;/h3-9H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1