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

Systemtic Name: 2-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-azanium chloride Openeye Name: 2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-ammonium chloride CAS Name: 2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)thio]ethyl-dipropylammonium chloride IUPAC Name: 2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropylazanium chloride Traditional Name: 2-[(4-hydroxy-6-keto-5-propyl-1H-pyrimidin-2-yl)thio]ethyl-dipropyl-ammonium chloride Formula: C15H28ClN3O2S MolecularWeight: 349.91972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SCC[NH+](CCC)CCC)O.[Cl-]

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SCC[NH+](CCC)CCC)O.[Cl-]

InChI

InChI=1S/C15H27N3O2S.ClH/c1-4-7-12-13(19)16-15(17-14(12)20)21-11-10-18(8-5-2)9-6-3;/h4-11H2,1-3H3,(H2,16,17,19,20);1H