sodium 5-(cyclohexen-1-yl)-5-ethyl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione

Systemtic Name: sodium 5-(cyclohexen-1-yl)-5-ethyl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione Openeye Name: sodium 5-(cyclohexen-1-yl)-5-ethyl-2-thioxo-hexahydropyrimidin-3-ide-4,6-dione CAS Name: sodium 5-(1-cyclohexenyl)-5-ethyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione IUPAC Name: sodium 5-(cyclohexen-1-yl)-5-ethyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione Traditional Name: sodium 5-(cyclohexen-1-yl)-5-ethyl-2-thioxo-hexahydropyrimidin-3-ide-4,6-quinone Formula: C12H15N2NaO2S MolecularWeight: 274.31447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=S)[N-]C1=O)C2=CCCCC2.[Na+]

Isomeric SMILES

CCC1(C(=O)NC(=S)[N-]C1=O)C2=CCCCC2.[Na+]

InChI

InChI=1S/C12H16N2O2S.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1