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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

Isomeric SMILES

CCCCCSCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

InChI

InChI=1S/C12H20N2O3S.Na/c1-3-5-6-7-18-8-12(4-2)9(15)13-11(17)14-10(12)16;/h3-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1