disodium 5-ethyl-5-hexan-2-yl-6-oxidanylidene-pyrimidine-2,4-diolate

Systemtic Name: disodium 5-ethyl-5-hexan-2-yl-6-oxidanylidene-pyrimidine-2,4-diolate Openeye Name: disodium 5-ethyl-5-(1-methylpentyl)-6-oxo-pyrimidine-2,4-diolate CAS Name: disodium 5-ethyl-5-hexan-2-yl-6-oxopyrimidine-2,4-diolate IUPAC Name: disodium 5-ethyl-5-hexan-2-yl-6-oxopyrimidine-2,4-diolate Traditional Name: disodium 5-ethyl-6-keto-5-(1-methylpentyl)pyrimidine-2,4-diolate Formula: C12H18N2Na2O3 MolecularWeight: 284.26246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O3.2Na/c1-4-6-7-8(3)12(5-2)9(15)13-11(17)14-10(12)16;;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);;/q;2*+1/p-2