2-(4-tert-butylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-tert-butylphenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-tert-butylphenyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H26N4OS MolecularWeight: 370.51164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4OS/c1-20(2,3)16-5-7-17(8-6-16)26-15-18(25)23-11-13-24(14-12-23)19-21-9-4-10-22-19/h4-10H,11-15H2,1-3H3