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

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C16H27ClN5OS+ MolecularWeight: 372.93648

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)NCC[NH+]2CCCC2)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)NCC[NH+]2CCCC2)Cl

InChI

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