sodium 5-(2-methylprop-2-enyl)-6-oxidanylidene-5-pentan-2-yl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-(2-methylprop-2-enyl)-6-oxidanylidene-5-pentan-2-yl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-(2-methylallyl)-5-(1-methylbutyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-(2-methylprop-2-enyl)-6-oxo-5-pentan-2-yl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-(2-methylprop-2-enyl)-6-oxo-5-pentan-2-yl-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 6-keto-5-(2-methylallyl)-5-(1-methylbutyl)-2-thioxo-pyrimidin-4-olate Formula: C13H19N2NaO2S MolecularWeight: 290.35693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S.Na/c1-5-6-9(4)13(7-8(2)3)10(16)14-12(18)15-11(13)17;/h9H,2,5-7H2,1,3-4H3,(H2,14,15,16,17,18);/q;+1/p-1