sodium 5-ethyl-5-[1-(3-methylbutylsulfanyl)ethyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-ethyl-5-[1-(3-methylbutylsulfanyl)ethyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-ethyl-5-(1-isopentylsulfanylethyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-ethyl-5-[1-(3-methylbutylthio)ethyl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-ethyl-5-[1-(3-methylbutylsulfanyl)ethyl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-ethyl-5-[1-(isoamylthio)ethyl]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C13H21N2NaO2S2 MolecularWeight: 324.43781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=S)N=C1[O-])C(C)SCCC(C)C.[Na+]

Isomeric SMILES

CCC1(C(=O)NC(=S)N=C1[O-])C(C)SCCC(C)C.[Na+]

InChI

InChI=1S/C13H22N2O2S2.Na/c1-5-13(9(4)19-7-6-8(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