2-[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]-N-[2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Formula: C20H33ClN5OS+ MolecularWeight: 427.02692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC(=O)NCC[NH+]3CCCCC3)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC(=O)NCC[NH+]3CCCCC3)Cl

InChI

InChI=1S/C20H32ClN5OS/c1-25(16-8-4-2-5-9-16)18-14-17(21)23-20(24-18)28-15-19(27)22-10-13-26-11-6-3-7-12-26/h14,16H,2-13,15H2,1H3,(H,22,27)/p+1