3-[(6-bromanyl-2-phenyl-quinazolin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(6-bromanyl-2-phenyl-quinazolin-4-yl)amino]benzoic acid Openeye Name: 3-[(6-bromo-2-phenyl-quinazolin-4-yl)amino]benzoic acid CAS Name: 3-[(6-bromo-2-phenyl-4-quinazolinyl)amino]benzoic acid IUPAC Name: 3-[(6-bromo-2-phenylquinazolin-4-yl)amino]benzoic acid Traditional Name: 3-[(6-bromo-2-phenyl-quinazolin-4-yl)amino]benzoic acid Formula: C21H14BrN3O2 MolecularWeight: 420.25876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=N2)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=N2)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H14BrN3O2/c22-15-9-10-18-17(12-15)20(23-16-8-4-7-14(11-16)21(26)27)25-19(24-18)13-5-2-1-3-6-13/h1-12H,(H,26,27)(H,23,24,25)