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

Systemtic Name: 5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one chloride Openeye Name: 4-hydroxy-5-isobutyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride CAS Name: 4-hydroxy-5-(2-methylpropyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-1H-pyrimidin-6-one chloride IUPAC Name: 4-hydroxy-5-(2-methylpropyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one chloride Traditional Name: 4-hydroxy-5-isobutyl-2-(2-morpholin-4-ium-4-ylethylthio)-1H-pyrimidin-6-one chloride Formula: C14H24ClN3O3S MolecularWeight: 349.87666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O.[Cl-]

Isomeric SMILES

CC(C)CC1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O.[Cl-]

InChI

InChI=1S/C14H23N3O3S.ClH/c1-10(2)9-11-12(18)15-14(16-13(11)19)21-8-5-17-3-6-20-7-4-17;/h10H,3-9H2,1-2H3,(H2,15,16,18,19);1H