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

Systemtic Name: diethyl-[2-(5-ethyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium Openeye Name: diethyl-[2-(5-ethyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl]ammonium CAS Name: diethyl-[2-[(5-ethyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl]ammonium IUPAC Name: diethyl-[2-(5-ethyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl]azanium Traditional Name: diethyl-[2-[(5-ethyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl]ammonium Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O

InChI

InChI=1S/C18H25N3O2S/c1-4-15-16(22)19-18(24-13-12-20(5-2)6-3)21(17(15)23)14-10-8-7-9-11-14/h7-11,23H,4-6,12-13H2,1-3H3/p+1