sodium 5-butyl-6-oxidanylidene-5-(1-pentylsulfanylethyl)-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-butyl-6-oxidanylidene-5-(1-pentylsulfanylethyl)-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-butyl-6-oxo-5-(1-pentylsulfanylethyl)-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-butyl-6-oxo-5-[1-(pentylthio)ethyl]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-butyl-6-oxo-5-(1-pentylsulfanylethyl)-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-[1-(amylthio)ethyl]-5-butyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C15H25N2NaO2S2 MolecularWeight: 352.49097

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(C)C1(C(=O)NC(=S)N=C1[O-])CCCC.[Na+]

Isomeric SMILES

CCCCCSC(C)C1(C(=O)NC(=S)N=C1[O-])CCCC.[Na+]

InChI

InChI=1S/C15H26N2O2S2.Na/c1-4-6-8-10-21-11(3)15(9-7-5-2)12(18)16-14(20)17-13(15)19;/h11H,4-10H2,1-3H3,(H2,16,17,18,19,20);/q;+1/p-1