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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-(4-ethylbenzoyl)piperazino]ethanone Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H26N4O2S/c1-4-17-5-7-18(8-6-17)20(27)25-11-9-24(10-12-25)19(26)14-28-21-22-15(2)13-16(3)23-21/h5-8,13H,4,9-12,14H2,1-3H3