2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

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