sodium 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidine-2-thiolate

Systemtic Name: sodium 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidine-2-thiolate CAS Name: sodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidine-2-thiolate Formula: C11H17N2NaO2S MolecularWeight: 264.31965

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC.[Na+]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC.[Na+]

InChI

InChI=1S/C11H18N2O2S.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