1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-2-(p-tolylthio)ethanone Formula: C17H19BrN4OS MolecularWeight: 407.32796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C17H19BrN4OS/c1-13-2-4-15(5-3-13)24-12-16(23)21-6-8-22(9-7-21)17-19-10-14(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3