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2-[4,6-dimethoxy-1-(prop-2-ynylsulfamoyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methyl-butanoic acid

2-[4,6-dimethoxy-1-(prop-2-ynylsulfamoyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methyl-butanoic acid

Systemtic Name:2-[4,6-dimethoxy-1-(prop-2-ynylsulfamoyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methyl-butanoic acid
Openeye Name:2-[4,6-dimethoxy-1-(prop-2-ynylsulfamoyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methyl-butanoic acid
CAS Name:2-[[4,6-dimethoxy-1-(prop-2-ynylsulfamoyl)-2-pyrimidin-1-iumyl]thio]-3-methoxy-3-methylbutanoic acid
IUPAC Name:2-[4,6-dimethoxy-1-(prop-2-ynylsulfamoyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methylbutanoic acid
Traditional Name:2-[[4,6-dimethoxy-1-(propargylsulfamoyl)pyrimidin-1-ium-2-yl]thio]-3-methoxy-3-methyl-butyric acid
Formula: C15H22N3O7S2+
MolecularWeight: 420.48108
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)NCC#C)OC)OC)OC


Isomeric SMILES

CC(C)(C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)NCC#C)OC)OC)OC


InChI

InChI=1S/C15H21N3O7S2/c1-7-8-16-27(21,22)18-11(24-5)9-10(23-4)17-14(18)26-12(13(19)20)15(2,3)25-6/h1,9,12,16H,8H2,2-6H3/p+1


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