sodium 1-ethyl-5-(3-methylbutyl)-4,6-bis(oxidanylidene)pyrimidin-2-olate

Systemtic Name: sodium 1-ethyl-5-(3-methylbutyl)-4,6-bis(oxidanylidene)pyrimidin-2-olate Openeye Name: sodium 1-ethyl-5-isopentyl-4,6-dioxo-pyrimidin-2-olate CAS Name: sodium 1-ethyl-5-(3-methylbutyl)-4,6-dioxo-2-pyrimidinolate IUPAC Name: sodium 1-ethyl-5-(3-methylbutyl)-4,6-dioxopyrimidin-2-olate Traditional Name: sodium 1-ethyl-5-isoamyl-4,6-diketo-pyrimidin-2-olate Formula: C11H17N2NaO3 MolecularWeight: 248.25405

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=O)N=C1[O-])CCC(C)C.[Na+]

Isomeric SMILES

CCN1C(=O)C(C(=O)N=C1[O-])CCC(C)C.[Na+]

InChI

InChI=1S/C11H18N2O3.Na/c1-4-13-10(15)8(6-5-7(2)3)9(14)12-11(13)16;/h7-8H,4-6H2,1-3H3,(H,12,14,16);/q;+1/p-1