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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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