2-(4-bromophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C16H17BrN4OS MolecularWeight: 393.30138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H17BrN4OS/c17-13-2-4-14(5-3-13)23-12-15(22)20-8-10-21(11-9-20)16-18-6-1-7-19-16/h1-7H,8-12H2