2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(4-p-toluoylpiperazino)ethanone Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H24N4O2S/c1-14-4-6-17(7-5-14)19(26)24-10-8-23(9-11-24)18(25)13-27-20-21-15(2)12-16(3)22-20/h4-7,12H,8-11,13H2,1-3H3