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

Systemtic Name: 2-[5,6-dimethyl-3-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-azanium iodide Openeye Name: 2-[5,6-dimethyl-4-oxo-3-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-ammonium iodide CAS Name: 2-[[5,6-dimethyl-3-(4-methylphenyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]ethyl-diethyl-methylammonium iodide IUPAC Name: 2-[5,6-dimethyl-3-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methylazanium iodide Traditional Name: diethyl-[2-[[4-keto-5,6-dimethyl-3-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]ethyl]-methyl-ammonium iodide Formula: C22H30IN3OS2 MolecularWeight: 543.52757

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCSC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3=CC=C(C=C3)C.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCSC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3=CC=C(C=C3)C.[I-]

InChI

InChI=1S/C22H30N3OS2.HI/c1-7-25(6,8-2)13-14-27-22-23-20-19(16(4)17(5)28-20)21(26)24(22)18-11-9-15(3)10-12-18;/h9-12H,7-8,13-14H2,1-6H3;1H/q+1;/p-1