2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(o-tolyl)imidazol-2-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6OS/c1-16-5-2-3-6-17(16)26-10-9-23-20(26)28-15-18(27)24-11-13-25(14-12-24)19-21-7-4-8-22-19/h2-10H,11-15H2,1H3