2-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]-2-quinazolinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6,7-dimethoxy-4-[(4-sulfamoylbenzyl)amino]quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C22H22N6O6S2 MolecularWeight: 530.57668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O6S2/c1-11-18(20(29)30)35-22(25-11)28-21-26-15-9-17(34-3)16(33-2)8-14(15)19(27-21)24-10-12-4-6-13(7-5-12)36(23,31)32/h4-9H,10H2,1-3H3,(H,29,30)(H2,23,31,32)(H2,24,25,26,27,28)