2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(5-tert-butyl-2-methylphenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-tert-butyl-2-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H28N4OS/c1-16-6-7-17(21(2,3)4)14-18(16)27-15-19(26)24-10-12-25(13-11-24)20-22-8-5-9-23-20/h5-9,14H,10-13,15H2,1-4H3