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

Systemtic Name: diethyl-[2-[6-oxidanyl-4-oxidanylidene-1-phenyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylethyl]azanium chloride Openeye Name: 2-(5-benzyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl-diethyl-ammonium chloride CAS Name: diethyl-[2-[[6-hydroxy-4-oxo-1-phenyl-5-(phenylmethyl)-2-pyrimidinyl]thio]ethyl]ammonium chloride IUPAC Name: 2-(5-benzyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl-diethylazanium chloride Traditional Name: 2-[(5-benzyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl-diethyl-ammonium chloride Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H27N3O2S.ClH/c1-3-25(4-2)15-16-29-23-24-21(27)20(17-18-11-7-5-8-12-18)22(28)26(23)19-13-9-6-10-14-19;/h5-14,28H,3-4,15-17H2,1-2H3;1H