sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1,3-diazinane-2,4,6-trione Openeye Name: sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-oxo-butyl]hexahydropyrimidine-2,4,6-trione CAS Name: sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-diazinane-2,4,6-trione IUPAC Name: sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-diazinane-2,4,6-trione Traditional Name: sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-keto-butyl]barbituric acid Formula: C16H17FN2NaO4+ MolecularWeight: 343.305353

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)NC1=O)CCCC(=O)C2=CC=C(C=C2)F.[Na+]

Isomeric SMILES

CCC1(C(=O)NC(=O)NC1=O)CCCC(=O)C2=CC=C(C=C2)F.[Na+]

InChI

InChI=1S/C16H17FN2O4.Na/c1-2-16(13(21)18-15(23)19-14(16)22)9-3-4-12(20)10-5-7-11(17)8-6-10;/h5-8H,2-4,9H2,1H3,(H2,18,19,21,22,23);/q;+1