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

Systemtic Name: 2-[[6,7-dimethoxy-4-[(4-methylsulfonylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6,7-dimethoxy-4-[(4-methylsulfonylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6,7-dimethoxy-4-[(4-methylsulfonylphenyl)methylamino]-2-quinazolinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6,7-dimethoxy-4-[(4-methylsulfonylphenyl)methylamino]quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-[(4-mesylbenzyl)amino]-6,7-dimethoxy-quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C23H23N5O6S2 MolecularWeight: 529.58862

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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)C)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)C)OC)OC)C(=O)O

InChI

InChI=1S/C23H23N5O6S2/c1-12-19(21(29)30)35-23(25-12)28-22-26-16-10-18(34-3)17(33-2)9-15(16)20(27-22)24-11-13-5-7-14(8-6-13)36(4,31)32/h5-10H,11H2,1-4H3,(H,29,30)(H2,24,25,26,27,28)