sodium 5-(1-butylsulfanylpropyl)-5-ethyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate

Systemtic Name: sodium 5-(1-butylsulfanylpropyl)-5-ethyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate Openeye Name: sodium 5-(1-butylsulfanylpropyl)-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 5-[1-(butylthio)propyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate IUPAC Name: sodium 5-(1-butylsulfanylpropyl)-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate Traditional Name: sodium 5-[1-(butylthio)propyl]-5-ethyl-4,6-diketo-1H-pyrimidin-2-olate Formula: C13H21N2NaO3S MolecularWeight: 308.37221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(CC)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

Isomeric SMILES

CCCCSC(CC)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

InChI

InChI=1S/C13H22N2O3S.Na/c1-4-7-8-19-9(5-2)13(6-3)10(16)14-12(18)15-11(13)17;/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1