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

Systemtic Name: sodium 5-[1-(2-methylpropylsulfanyl)ethyl]-6-oxidanylidene-5-propyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-(1-isobutylsulfanylethyl)-6-oxo-5-propyl-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-[1-(2-methylpropylthio)ethyl]-6-oxo-5-propyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-[1-(2-methylpropylsulfanyl)ethyl]-6-oxo-5-propyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-[1-(isobutylthio)ethyl]-6-keto-5-propyl-2-thioxo-pyrimidin-4-olate Formula: C13H21N2NaO2S2 MolecularWeight: 324.43781

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)NC(=S)N=C1[O-])C(C)SCC(C)C.[Na+]

Isomeric SMILES

CCCC1(C(=O)NC(=S)N=C1[O-])C(C)SCC(C)C.[Na+]

InChI

InChI=1S/C13H22N2O2S2.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