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

Systemtic Name: 2-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-azanium chloride Openeye Name: 2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-ammonium chloride CAS Name: 2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)thio]ethyl-dipropylammonium chloride IUPAC Name: 2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropylazanium chloride Traditional Name: 2-[(5-amyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dipropyl-ammonium chloride Formula: C17H32ClN3O2S MolecularWeight: 377.97288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(NC1=O)SCC[NH+](CCC)CCC)O.[Cl-]

Isomeric SMILES

CCCCCC1=C(N=C(NC1=O)SCC[NH+](CCC)CCC)O.[Cl-]

InChI

InChI=1S/C17H31N3O2S.ClH/c1-4-7-8-9-14-15(21)18-17(19-16(14)22)23-13-12-20(10-5-2)11-6-3;/h4-13H2,1-3H3,(H2,18,19,21,22);1H