5-heptyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one chloride

Systemtic Name: 5-heptyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one chloride Openeye Name: 5-heptyl-4-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride CAS Name: 5-heptyl-4-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-1H-pyrimidin-6-one chloride IUPAC Name: 5-heptyl-4-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride Traditional Name: 5-heptyl-4-hydroxy-2-(2-morpholin-4-ium-4-ylethylthio)-1H-pyrimidin-6-one chloride Formula: C17H30ClN3O3S MolecularWeight: 391.9564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O.[Cl-]

Isomeric SMILES

CCCCCCCC1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O.[Cl-]

InChI

InChI=1S/C17H29N3O3S.ClH/c1-2-3-4-5-6-7-14-15(21)18-17(19-16(14)22)24-13-10-20-8-11-23-12-9-20;/h2-13H2,1H3,(H2,18,19,21,22);1H