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

Systemtic Name: sodium 5-ethyl-4,6-bis(oxidanylidene)-5-(pentan-2-ylsulfanylmethyl)-1H-pyrimidin-2-olate Openeye Name: sodium 5-ethyl-5-(1-methylbutylsulfanylmethyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 5-ethyl-4,6-dioxo-5-[(pentan-2-ylthio)methyl]-1H-pyrimidin-2-olate IUPAC Name: sodium 5-ethyl-4,6-dioxo-5-(pentan-2-ylsulfanylmethyl)-1H-pyrimidin-2-olate Traditional Name: sodium 5-ethyl-4,6-diketo-5-[(1-methylbutylthio)methyl]-1H-pyrimidin-2-olate Formula: C12H19N2NaO3S MolecularWeight: 294.34563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)SCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

Isomeric SMILES

CCCC(C)SCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

InChI

InChI=1S/C12H20N2O3S.Na/c1-4-6-8(3)18-7-12(5-2)9(15)13-11(17)14-10(12)16;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);/q;+1/p-1