2-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl-diethyl-azanium chloride Openeye Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-diethyl-ammonium chloride CAS Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]ethyl-diethylammonium chloride IUPAC Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-diethylazanium chloride Traditional Name: 2-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]ethyl-diethyl-ammonium chloride Formula: C14H26ClN3O2S MolecularWeight: 335.89314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SCC[NH+](CC)CC)O.[Cl-]

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SCC[NH+](CC)CC)O.[Cl-]

InChI

InChI=1S/C14H25N3O2S.ClH/c1-4-7-8-11-12(18)15-14(16-13(11)19)20-10-9-17(5-2)6-3;/h4-10H2,1-3H3,(H2,15,16,18,19);1H