sodium 5-(2-methylpropyl)-6-oxidanylidene-5-(1-prop-2-enylsulfanylethyl)-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-(2-methylpropyl)-6-oxidanylidene-5-(1-prop-2-enylsulfanylethyl)-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-(1-allylsulfanylethyl)-5-isobutyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-(2-methylpropyl)-6-oxo-5-[1-(prop-2-enylthio)ethyl]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-(2-methylpropyl)-6-oxo-5-(1-prop-2-enylsulfanylethyl)-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-[1-(allylthio)ethyl]-5-isobutyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C13H19N2NaO2S2 MolecularWeight: 322.42193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C(=O)NC(=S)N=C1[O-])C(C)SCC=C.[Na+]

Isomeric SMILES

CC(C)CC1(C(=O)NC(=S)N=C1[O-])C(C)SCC=C.[Na+]

InChI

InChI=1S/C13H20N2O2S2.Na/c1-5-6-19-9(4)13(7-8(2)3)10(16)14-12(18)15-11(13)17;/h5,8-9H,1,6-7H2,2-4H3,(H2,14,15,16,17,18);/q;+1/p-1