sodium 5-butyl-5-(butylsulfanylmethyl)-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=NC1=O)[O-])CSCCCC.[Na+]

Isomeric SMILES

CCCCC1(C(=O)NC(=NC1=O)[O-])CSCCCC.[Na+]

InChI

InChI=1S/C13H22N2O3S.Na/c1-3-5-7-13(9-19-8-6-4-2)10(16)14-12(18)15-11(13)17;/h3-9H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1