sodium 5-[1-(2-methylpropylsulfanyl)ethyl]-4,6-bis(oxidanylidene)-5-propyl-1H-pyrimidin-2-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)NC(=NC1=O)[O-])C(C)SCC(C)C.[Na+]

Isomeric SMILES

CCCC1(C(=O)NC(=NC1=O)[O-])C(C)SCC(C)C.[Na+]

InChI

InChI=1S/C13H22N2O3S.Na/c1-5-6-13(9(4)19-7-8(2)3)10(16)14-12(18)15-11(13)17;/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17,18);/q;+1/p-1