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

Systemtic Name: diethyl-[2-(6-oxidanyl-4-oxidanylidene-1-phenyl-5-propan-2-yl-pyrimidin-2-yl)sulfanylethyl]azanium Openeye Name: diethyl-[2-(6-hydroxy-5-isopropyl-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl]ammonium CAS Name: diethyl-[2-[(6-hydroxy-4-oxo-1-phenyl-5-propan-2-yl-2-pyrimidinyl)thio]ethyl]ammonium IUPAC Name: diethyl-[2-(6-hydroxy-4-oxo-1-phenyl-5-propan-2-ylpyrimidin-2-yl)sulfanylethyl]azanium Traditional Name: diethyl-[2-[(6-hydroxy-5-isopropyl-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl]ammonium Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C(C)C

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C(C)C

InChI

InChI=1S/C19H27N3O2S/c1-5-21(6-2)12-13-25-19-20-17(23)16(14(3)4)18(24)22(19)15-10-8-7-9-11-15/h7-11,14,24H,5-6,12-13H2,1-4H3/p+1