2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C16H26N5O2S+ MolecularWeight: 352.47494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)C)N3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)C)N3CCOCC3

InChI

InChI=1S/C16H25N5O2S/c1-13-11-14(20-7-9-23-10-8-20)18-16(17-13)24-12-15(22)21-5-3-19(2)4-6-21/h11H,3-10,12H2,1-2H3/p+1