sodium 5-ethyl-5-(pentan-2-ylsulfanylmethyl)pyrimidin-3-ide-2,4,6-trione

Systemtic Name: sodium 5-ethyl-5-(pentan-2-ylsulfanylmethyl)pyrimidin-3-ide-2,4,6-trione Openeye Name: sodium 5-ethyl-5-(1-methylbutylsulfanylmethyl)hexahydropyrimidin-3-ide-2,4,6-trione CAS Name: sodium 5-ethyl-5-[(pentan-2-ylthio)methyl]pyrimidin-3-ide-2,4,6-trione IUPAC Name: sodium 5-ethyl-5-(pentan-2-ylsulfanylmethyl)pyrimidin-3-ide-2,4,6-trione Traditional Name: sodium 5-ethyl-5-[(1-methylbutylthio)methyl]hexahydropyrimidin-3-ide-2,4,6-trione Formula: C12H19N2NaO3S MolecularWeight: 294.34563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)SCC1(C(=O)NC(=O)[N-]C1=O)CC.[Na+]

Isomeric SMILES

CCCC(C)SCC1(C(=O)NC(=O)[N-]C1=O)CC.[Na+]

InChI

InChI=1S/C12H20N2O3S.Na/c1-4-6-8(3)18-7-12(5-2)9(15)13-11(17)14-10(12)16;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);/q;+1/p-1