sodium 5-ethyl-5-hex-1-ynyl-1,3-diazinane-2,4,6-trione

Systemtic Name: sodium 5-ethyl-5-hex-1-ynyl-1,3-diazinane-2,4,6-trione Openeye Name: sodium 5-ethyl-5-hex-1-ynyl-hexahydropyrimidine-2,4,6-trione CAS Name: sodium 5-ethyl-5-hex-1-ynyl-1,3-diazinane-2,4,6-trione IUPAC Name: sodium 5-ethyl-5-hex-1-ynyl-1,3-diazinane-2,4,6-trione Traditional Name: sodium 5-ethyl-5-hex-1-ynyl-barbituric acid Formula: C12H16N2NaO3+ MolecularWeight: 259.25681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1(C(=O)NC(=O)NC1=O)CC.[Na+]

Isomeric SMILES

CCCCC#CC1(C(=O)NC(=O)NC1=O)CC.[Na+]

InChI

InChI=1S/C12H16N2O3.Na/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16;/h3-6H2,1-2H3,(H2,13,14,15,16,17);/q;+1