(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propan-1-one Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4OS/c1-4-23-10-12-24(13-11-23)19(25)16(3)26-20-21-15(2)14-18(22-20)17-8-6-5-7-9-17/h5-9,14,16H,4,10-13H2,1-3H3/p+1/t16-/m0/s1