sodium 5-butan-2-yl-5-(ethylsulfanylmethyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-butan-2-yl-5-(ethylsulfanylmethyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-(ethylsulfanylmethyl)-6-oxo-5-sec-butyl-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-butan-2-yl-5-[(ethylthio)methyl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-butan-2-yl-5-(ethylsulfanylmethyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-[(ethylthio)methyl]-6-keto-5-sec-butyl-2-thioxo-pyrimidin-4-olate Formula: C11H17N2NaO2S2 MolecularWeight: 296.38465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C(=O)NC(=S)N=C1[O-])CSCC.[Na+]

Isomeric SMILES

CCC(C)C1(C(=O)NC(=S)N=C1[O-])CSCC.[Na+]

InChI

InChI=1S/C11H18N2O2S2.Na/c1-4-7(3)11(6-17-5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1