sodium 5-ethyl-2,6-bis(oxidanylidene)-5-pentan-2-yl-pyrimidin-4-olate

Systemtic Name: sodium 5-ethyl-2,6-bis(oxidanylidene)-5-pentan-2-yl-pyrimidin-4-olate Openeye Name: sodium 5-ethyl-5-(1-methylbutyl)-2,6-dioxo-pyrimidin-4-olate CAS Name: sodium 5-ethyl-2,6-dioxo-5-pentan-2-yl-4-pyrimidinolate IUPAC Name: sodium 5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate Traditional Name: sodium 5-ethyl-2,6-diketo-5-(1-methylbutyl)pyrimidin-4-olate Formula: C11H17N2NaO3 MolecularWeight: 248.25405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(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