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

Systemtic Name: 2-[[6,7-dimethoxy-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6,7-dimethoxy-4-(3-pyridylmethylamino)quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6,7-dimethoxy-4-(3-pyridinylmethylamino)-2-quinazolinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6,7-dimethoxy-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6,7-dimethoxy-4-(3-pyridylmethylamino)quinazolin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O4S/c1-11-17(19(28)29)32-21(24-11)27-20-25-14-8-16(31-3)15(30-2)7-13(14)18(26-20)23-10-12-5-4-6-22-9-12/h4-9H,10H2,1-3H3,(H,28,29)(H2,23,24,25,26,27)