1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-(2-pyrimidylthio)ethanone Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H22N4O3S2/c1-14-4-5-15(2)16(12-14)27(24,25)22-10-8-21(9-11-22)17(23)13-26-18-19-6-3-7-20-18/h3-7,12H,8-11,13H2,1-2H3