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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-14-4-5-16(15(2)12-14)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