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

Systemtic Name: 3-[(6-bromanyl-4-phenyl-quinazolin-2-yl)amino]benzoate Openeye Name: 3-[(6-bromo-4-phenyl-quinazolin-2-yl)amino]benzoate CAS Name: 3-[(6-bromo-4-phenyl-2-quinazolinyl)amino]benzoate IUPAC Name: 3-[(6-bromo-4-phenylquinazolin-2-yl)amino]benzoate Traditional Name: 3-[(6-bromo-4-phenyl-quinazolin-2-yl)amino]benzoate Formula: C21H13BrN3O2- MolecularWeight: 419.25082

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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=CC(=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

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