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

Systemtic Name: sodium 5-(1-butylsulfanylethyl)-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-allyl-5-(1-butylsulfanylethyl)-4,6-dioxo-1H-pyrimidine-2-thiolate CAS Name: sodium 5-[1-(butylthio)ethyl]-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-(1-butylsulfanylethyl)-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-allyl-5-[1-(butylthio)ethyl]-4,6-diketo-1H-pyrimidine-2-thiolate Formula: C13H19N2NaO2S2 MolecularWeight: 322.42193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]

Isomeric SMILES

CCCCSC(C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]

InChI

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