2-[[4-ethoxycarbonyl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[4-ethoxycarbonyl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-ethoxycarbonyl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-ethoxycarbonyl-6-[(4-sulfamoylphenyl)methylamino]-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-ethoxycarbonyl-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-carbethoxy-6-[(4-sulfamoylbenzyl)amino]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C19H20N6O6S2 MolecularWeight: 492.5287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=N1)NC2=NC(=C(S2)C(=O)O)C)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=N1)NC2=NC(=C(S2)C(=O)O)C)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H20N6O6S2/c1-3-31-17(28)13-8-14(21-9-11-4-6-12(7-5-11)33(20,29)30)24-18(23-13)25-19-22-10(2)15(32-19)16(26)27/h4-8H,3,9H2,1-2H3,(H,26,27)(H2,20,29,30)(H2,21,22,23,24,25)