1-(4-phenylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-phenylpiperazino)-2-(2-pyrimidylthio)ethanone Formula: C16H18N4OS MolecularWeight: 314.40532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H18N4OS/c21-15(13-22-16-17-7-4-8-18-16)20-11-9-19(10-12-20)14-5-2-1-3-6-14/h1-8H,9-13H2