2-[[8-methoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[8-methoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[8-methoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[8-methoxy-4-[(4-sulfamoylphenyl)methylamino]-2-quinazolinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[8-methoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[8-methoxy-4-[(4-sulfamoylbenzyl)amino]quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H20N6O5S2 MolecularWeight: 500.5507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC3=C(C=CC=C3OC)C(=N2)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC3=C(C=CC=C3OC)C(=N2)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C21H20N6O5S2/c1-11-17(19(28)29)33-21(24-11)27-20-25-16-14(4-3-5-15(16)32-2)18(26-20)23-10-12-6-8-13(9-7-12)34(22,30)31/h3-9H,10H2,1-2H3,(H,28,29)(H2,22,30,31)(H2,23,24,25,26,27)