5-butyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-oxidanyl-1-phenyl-pyrimidin-4-one chloride

Systemtic Name: 5-butyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-oxidanyl-1-phenyl-pyrimidin-4-one chloride Openeye Name: 5-butyl-6-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-phenyl-pyrimidin-4-one chloride CAS Name: 5-butyl-6-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-1-phenyl-4-pyrimidinone chloride IUPAC Name: 5-butyl-6-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-phenylpyrimidin-4-one chloride Traditional Name: 5-butyl-6-hydroxy-2-(2-morpholin-4-ium-4-ylethylthio)-1-phenyl-pyrimidin-4-one chloride Formula: C20H28ClN3O3S MolecularWeight: 425.97262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C20H27N3O3S.ClH/c1-2-3-9-17-18(24)21-20(27-15-12-22-10-13-26-14-11-22)23(19(17)25)16-7-5-4-6-8-16;/h4-8,25H,2-3,9-15H2,1H3;1H