2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanone CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(2,6-dimethylpyrimidin-4-yl)thio]ethanone Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S2/c1-15-12-18(21-16(2)20-15)27-13-19(24)22-8-10-23(11-9-22)28(25,26)14-17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3