methyl N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methylsulfinylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methylsulfinylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-2-methyl-3-(2-methylsulfinylphenyl)sulfonyl-isothiourea CAS Name: N-(4,6-dimethoxy-2-pyrimidinyl)-N'-(2-methylsulfinylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methylsulfinylphenyl)sulfonylcarbamimidothioate Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-2-methyl-3-(2-methylsulfinylphenyl)sulfonyl-isothiourea Formula: C15H18N4O5S3 MolecularWeight: 430.52222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2S(=O)C)SC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2S(=O)C)/SC)OC

InChI

InChI=1S/C15H18N4O5S3/c1-23-12-9-13(24-2)17-14(16-12)18-15(25-3)19-27(21,22)11-8-6-5-7-10(11)26(4)20/h5-9H,1-4H3,(H,16,17,18,19)