2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H19BrN4OS MolecularWeight: 407.32796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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