2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl-trimethyl-azanium iodide

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl-trimethyl-azanium iodide Openeye Name: 2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl-trimethyl-ammonium iodide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl-trimethylammonium iodide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl-trimethylazanium iodide Traditional Name: 2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl-trimethyl-ammonium iodide Formula: C19H24IN3OS2 MolecularWeight: 501.44783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC[N+](C)(C)C)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC[N+](C)(C)C)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C19H24N3OS2.HI/c1-13-14(2)25-17-16(13)18(23)21(15-9-7-6-8-10-15)19(20-17)24-12-11-22(3,4)5;/h6-10H,11-12H2,1-5H3;1H/q+1;/p-1