2-[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[4-chloro-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]-1-(4-ethyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Formula: C16H27ClN5OS+ MolecularWeight: 372.93648

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)CC)Cl

Isomeric SMILES

CCCN(C)C1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)CC)Cl

InChI

InChI=1S/C16H26ClN5OS/c1-4-6-20(3)14-11-13(17)18-16(19-14)24-12-15(23)22-9-7-21(5-2)8-10-22/h11H,4-10,12H2,1-3H3/p+1