sodium 5-(2-methylpropyl)-4,6-bis(oxidanylidene)-5-(1-prop-2-enylsulfanylethyl)-1H-pyrimidine-2-thiolate

Systemtic Name: sodium 5-(2-methylpropyl)-4,6-bis(oxidanylidene)-5-(1-prop-2-enylsulfanylethyl)-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-(1-allylsulfanylethyl)-5-isobutyl-4,6-dioxo-1H-pyrimidine-2-thiolate CAS Name: sodium 5-(2-methylpropyl)-4,6-dioxo-5-[1-(prop-2-enylthio)ethyl]-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-(2-methylpropyl)-4,6-dioxo-5-(1-prop-2-enylsulfanylethyl)-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-[1-(allylthio)ethyl]-5-isobutyl-4,6-diketo-1H-pyrimidine-2-thiolate Formula: C13H19N2NaO2S2 MolecularWeight: 322.42193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C(=O)NC(=NC1=O)[S-])C(C)SCC=C.[Na+]

Isomeric SMILES

CC(C)CC1(C(=O)NC(=NC1=O)[S-])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