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

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C18H31ClN5O2S+ MolecularWeight: 416.98904

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)NCC[NH+]2CCOCC2)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)NCC[NH+]2CCOCC2)Cl

InChI

InChI=1S/C18H30ClN5O2S/c1-3-6-24(7-4-2)16-13-15(19)21-18(22-16)27-14-17(25)20-5-8-23-9-11-26-12-10-23/h13H,3-12,14H2,1-2H3,(H,20,25)/p+1