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

Systemtic Name: 4-[(6-bromanyl-4-phenyl-quinazolin-2-yl)amino]benzoic acid Openeye Name: 4-[(6-bromo-4-phenyl-quinazolin-2-yl)amino]benzoic acid CAS Name: 4-[(6-bromo-4-phenyl-2-quinazolinyl)amino]benzoic acid IUPAC Name: 4-[(6-bromo-4-phenylquinazolin-2-yl)amino]benzoic acid Traditional Name: 4-[(6-bromo-4-phenyl-quinazolin-2-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=NC(=NC3=C2C=C(C=C3)Br)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)NC4=CC=C(C=C4)C(=O)O

InChI

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