methyl N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(methoxysulfamoyl)phenyl]sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(methoxysulfamoyl)phenyl]sulfonyl-carbamimidothioate Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(methoxysulfamoyl)phenyl]sulfonyl-2-methyl-isothiourea CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(methoxysulfamoyl)phenyl]sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(methoxysulfamoyl)phenyl]sulfonylcarbamimidothioate Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(methoxysulfamoyl)phenyl]sulfonyl-2-methyl-isothiourea Formula: C15H19N5O5S3 MolecularWeight: 445.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NOC)SC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NOC)/SC)C

InChI

InChI=1S/C15H19N5O5S3/c1-10-9-11(2)17-14(16-10)18-15(26-4)19-27(21,22)12-7-5-6-8-13(12)28(23,24)20-25-3/h5-9,20H,1-4H3,(H,16,17,18,19)