sodium 5-(1-ethylsulfanylethyl)-5-hexyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate

Systemtic Name: sodium 5-(1-ethylsulfanylethyl)-5-hexyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate Openeye Name: sodium 5-(1-ethylsulfanylethyl)-5-hexyl-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 5-[1-(ethylthio)ethyl]-5-hexyl-4,6-dioxo-1H-pyrimidin-2-olate IUPAC Name: sodium 5-(1-ethylsulfanylethyl)-5-hexyl-4,6-dioxo-1H-pyrimidin-2-olate Traditional Name: sodium 5-[1-(ethylthio)ethyl]-5-hexyl-4,6-diketo-1H-pyrimidin-2-olate Formula: C14H23N2NaO3S MolecularWeight: 322.39879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(=O)NC(=NC1=O)[O-])C(C)SCC.[Na+]

Isomeric SMILES

CCCCCCC1(C(=O)NC(=NC1=O)[O-])C(C)SCC.[Na+]

InChI

InChI=1S/C14H24N2O3S.Na/c1-4-6-7-8-9-14(10(3)20-5-2)11(17)15-13(19)16-12(14)18;/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19);/q;+1/p-1