2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]ethanone Formula: C20H23N4OS2+ MolecularWeight: 399.55282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H22N4OS2/c1-14-3-5-15(6-4-14)16-11-26-19-18(16)20(22-13-21-19)27-12-17(25)24-9-7-23(2)8-10-24/h3-6,11,13H,7-10,12H2,1-2H3/p+1