5-bromanyl-2-[(6,7-dimethylquinazolin-4-yl)amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(6,7-dimethylquinazolin-4-yl)amino]benzoic acid Openeye Name: 5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]benzoic acid CAS Name: 5-bromo-2-[(6,7-dimethyl-4-quinazolinyl)amino]benzoic acid IUPAC Name: 5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]benzoic acid Traditional Name: 5-bromo-2-[(6,7-dimethylquinazolin-4-yl)amino]benzoic acid Formula: C17H14BrN3O2 MolecularWeight: 372.21596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)C(=O)O)C

InChI

InChI=1S/C17H14BrN3O2/c1-9-5-12-15(6-10(9)2)19-8-20-16(12)21-14-4-3-11(18)7-13(14)17(22)23/h3-8H,1-2H3,(H,22,23)(H,19,20,21)