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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C(C)C.[Cl-]

Isomeric SMILES

CCC[NH+](CCC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C(C)C.[Cl-]

InChI

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