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

Systemtic Name: 2-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-azanium Openeye Name: 2-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methyl-ammonium CAS Name: 2-[[3-(4-chlorophenyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]ethyl-diethyl-methylammonium IUPAC Name: 2-[3-(4-chlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylethyl-diethyl-methylazanium Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]ethyl-diethyl-methyl-ammonium Formula: C21H27ClN3OS2+ MolecularWeight: 437.04158

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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)Cl

Isomeric SMILES

CC[N+](C)(CC)CCSC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN3OS2/c1-6-25(5,7-2)12-13-27-21-23-19-18(14(3)15(4)28-19)20(26)24(21)17-10-8-16(22)9-11-17/h8-11H,6-7,12-13H2,1-5H3/q+1