2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H22N4OS MolecularWeight: 342.45848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-14-4-5-16(12-15(14)2)24-13-17(23)21-8-10-22(11-9-21)18-19-6-3-7-20-18/h3-7,12H,8-11,13H2,1-2H3