2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(2,6-dimethylpyrimidin-4-yl)thio]-1-(4-mesylpiperazino)ethanone Formula: C13H20N4O3S2 MolecularWeight: 344.4529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H20N4O3S2/c1-10-8-12(15-11(2)14-10)21-9-13(18)16-4-6-17(7-5-16)22(3,19)20/h8H,4-7,9H2,1-3H3