2-[3-(4-chlorophenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-azanium iodide

Systemtic Name: 2-[3-(4-chlorophenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-azanium iodide Openeye Name: 2-[3-(4-chlorophenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-ammonium iodide CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]ethyl-diethyl-methylammonium iodide IUPAC Name: 2-[3-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methylazanium iodide Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]ethyl-diethyl-methyl-ammonium iodide Formula: C19H23ClIN3OS2 MolecularWeight: 535.89289

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)SC=C2.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)SC=C2.[I-]

InChI

InChI=1S/C19H23ClN3OS2.HI/c1-4-23(3,5-2)11-13-26-19-21-16-10-12-25-17(16)18(24)22(19)15-8-6-14(20)7-9-15;/h6-10,12H,4-5,11,13H2,1-3H3;1H/q+1;/p-1