sodium; azane; ethanol; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate

Systemtic Name: sodium; azane; ethanol; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate Openeye Name: sodium; ammonia; ethanol; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium; ammonia; ethanol; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate IUPAC Name: sodium; azane; ethanol; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate Traditional Name: sodium; ammonia; ethanol; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate Formula: C13H26N3NaO4 MolecularWeight: 311.35301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3.C2H6O.H3N.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;1-2-3;;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);3H,2H2,1H3;1H3;/q;;;+1/p-1