diethyl-[2-(6-oxidanyl-4-oxidanylidene-1,5-diphenyl-pyrimidin-2-yl)sulfanylethyl]azanium chloride

Systemtic Name: diethyl-[2-(6-oxidanyl-4-oxidanylidene-1,5-diphenyl-pyrimidin-2-yl)sulfanylethyl]azanium chloride Openeye Name: diethyl-[2-(6-hydroxy-4-oxo-1,5-diphenyl-pyrimidin-2-yl)sulfanylethyl]ammonium chloride CAS Name: diethyl-[2-[(6-hydroxy-4-oxo-1,5-diphenyl-2-pyrimidinyl)thio]ethyl]ammonium chloride IUPAC Name: diethyl-[2-(6-hydroxy-4-oxo-1,5-diphenylpyrimidin-2-yl)sulfanylethyl]azanium chloride Traditional Name: diethyl-[2-[(6-hydroxy-4-keto-1,5-diphenyl-pyrimidin-2-yl)thio]ethyl]ammonium chloride Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H25N3O2S.ClH/c1-3-24(4-2)15-16-28-22-23-20(26)19(17-11-7-5-8-12-17)21(27)25(22)18-13-9-6-10-14-18;/h5-14,27H,3-4,15-16H2,1-2H3;1H