4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]thiazole-2-carboxylic acid CAS Name: 4-[3-[(6,7-diethoxy-4-quinazolinyl)amino]phenyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]thiazole-2-carboxylic acid Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C4=CSC(=N4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C4=CSC(=N4)C(=O)O)OCC

InChI

InChI=1S/C22H20N4O4S/c1-3-29-18-9-15-16(10-19(18)30-4-2)23-12-24-20(15)25-14-7-5-6-13(8-14)17-11-31-21(26-17)22(27)28/h5-12H,3-4H2,1-2H3,(H,27,28)(H,23,24,25)