2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C19H33ClN5O2S+ MolecularWeight: 431.01562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32ClN5O2S/c1-3-7-25(8-4-2)17-14-16(20)22-19(23-17)28-15-18(26)21-6-5-9-24-10-12-27-13-11-24/h14H,3-13,15H2,1-2H3,(H,21,26)/p+1