2-[[4-methoxy-6-(methylselanylmethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[[4-methoxy-6-(methylselanylmethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-methoxy-6-(methylselanylmethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-methoxy-6-[(methylseleno)methyl]-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-methoxy-6-(methylselanylmethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-methoxy-6-[(methylseleno)methyl]pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C15H16N4O6SSe MolecularWeight: 459.33574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C[Se]C)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=NC(=NC(=C1)C[Se]C)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H16N4O6SSe/c1-25-12-7-9(8-27-2)16-14(17-12)18-15(22)19-26(23,24)11-6-4-3-5-10(11)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)