1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-[(4-chlorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-2-[(4-chlorophenyl)thio]propan-1-one Formula: C17H18BrClN4OS MolecularWeight: 441.77302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=C(C=N2)Br)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=C(C=N2)Br)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18BrClN4OS/c1-12(25-15-4-2-14(19)3-5-15)16(24)22-6-8-23(9-7-22)17-20-10-13(18)11-21-17/h2-5,10-12H,6-9H2,1H3