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

Systemtic Name: 2-[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C19H31ClN5OS+ MolecularWeight: 413.00034

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC(=O)NCC[NH+]3CCCC3)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC(=O)NCC[NH+]3CCCC3)Cl

InChI

InChI=1S/C19H30ClN5OS/c1-24(15-7-3-2-4-8-15)17-13-16(20)22-19(23-17)27-14-18(26)21-9-12-25-10-5-6-11-25/h13,15H,2-12,14H2,1H3,(H,21,26)/p+1