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

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-N-[2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Formula: C19H33ClN5OS+ MolecularWeight: 415.01622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)NCC[NH+]2CCCCC2)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)NCC[NH+]2CCCCC2)Cl

InChI

InChI=1S/C19H32ClN5OS/c1-3-9-25(10-4-2)17-14-16(20)22-19(23-17)27-15-18(26)21-8-13-24-11-6-5-7-12-24/h14H,3-13,15H2,1-2H3,(H,21,26)/p+1