1-(4-bromophenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[(6-piperidinopyrimidin-4-yl)thio]ethanone Formula: C17H18BrN3OS MolecularWeight: 392.31332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3OS/c18-14-6-4-13(5-7-14)15(22)11-23-17-10-16(19-12-20-17)21-8-2-1-3-9-21/h4-7,10,12H,1-3,8-9,11H2