2-(6-oxidanyl-4-oxidanylidene-1-phenyl-5-propyl-pyrimidin-2-yl)sulfanylethyl-dipropyl-azanium chloride

Systemtic Name: 2-(6-oxidanyl-4-oxidanylidene-1-phenyl-5-propyl-pyrimidin-2-yl)sulfanylethyl-dipropyl-azanium chloride Openeye Name: 2-(6-hydroxy-4-oxo-1-phenyl-5-propyl-pyrimidin-2-yl)sulfanylethyl-dipropyl-ammonium chloride CAS Name: 2-[(6-hydroxy-4-oxo-1-phenyl-5-propyl-2-pyrimidinyl)thio]ethyl-dipropylammonium chloride IUPAC Name: 2-(6-hydroxy-4-oxo-1-phenyl-5-propylpyrimidin-2-yl)sulfanylethyl-dipropylazanium chloride Traditional Name: 2-[(6-hydroxy-4-keto-1-phenyl-5-propyl-pyrimidin-2-yl)thio]ethyl-dipropyl-ammonium chloride Formula: C21H32ClN3O2S MolecularWeight: 426.01568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=NC1=O)SCC[NH+](CCC)CCC)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCC1=C(N(C(=NC1=O)SCC[NH+](CCC)CCC)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C21H31N3O2S.ClH/c1-4-10-18-19(25)22-21(27-16-15-23(13-5-2)14-6-3)24(20(18)26)17-11-8-7-9-12-17;/h7-9,11-12,26H,4-6,10,13-16H2,1-3H3;1H