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

Systemtic Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C19H20BrN4OS2+ MolecularWeight: 464.4223

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H19BrN4OS2/c1-23-6-8-24(9-7-23)16(25)11-27-19-17-15(10-26-18(17)21-12-22-19)13-2-4-14(20)5-3-13/h2-5,10,12H,6-9,11H2,1H3/p+1