2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H24N6OS/c1-16-12-17(2)14-18(13-16)27-7-6-24-21(27)29-15-19(28)25-8-10-26(11-9-25)20-22-4-3-5-23-20/h3-7,12-14H,8-11,15H2,1-2H3