sodium 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: sodium 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: sodium 5-butyl-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: sodium 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: sodium 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: sodium 5-butyl-1-cyclohexyl-barbituric acid Formula: C14H22N2NaO3+ MolecularWeight: 289.32585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2.[Na+]

Isomeric SMILES

CCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2.[Na+]

InChI

InChI=1S/C14H22N2O3.Na/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10;/h10-11H,2-9H2,1H3,(H,15,17,19);/q;+1