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

Systemtic Name: 4-methyl-2-[[4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[[4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[4-[(4-sulfamoylphenyl)methylamino]-2-quinazolinyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[[4-[(4-sulfamoylbenzyl)amino]quinazolin-2-yl]amino]thiazole-5-carboxylic acid Formula: C20H18N6O4S2 MolecularWeight: 470.52472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C20H18N6O4S2/c1-11-16(18(27)28)31-20(23-11)26-19-24-15-5-3-2-4-14(15)17(25-19)22-10-12-6-8-13(9-7-12)32(21,29)30/h2-9H,10H2,1H3,(H,27,28)(H2,21,29,30)(H2,22,23,24,25,26)