4-(2-azanyl-5-bromanyl-8-methoxy-quinazolin-6-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-5-bromanyl-8-methoxy-quinazolin-6-yl)benzoic acid Openeye Name: 4-(2-amino-5-bromo-8-methoxy-quinazolin-6-yl)benzoic acid CAS Name: 4-(2-amino-5-bromo-8-methoxy-6-quinazolinyl)benzoic acid IUPAC Name: 4-(2-amino-5-bromo-8-methoxyquinazolin-6-yl)benzoic acid Traditional Name: 4-(2-amino-5-bromo-8-methoxy-quinazolin-6-yl)benzoic acid Formula: C16H12BrN3O3 MolecularWeight: 374.18878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)C3=CC=C(C=C3)C(=O)O)Br)C=NC(=N2)N

Isomeric SMILES

COC1=C2C(=C(C(=C1)C3=CC=C(C=C3)C(=O)O)Br)C=NC(=N2)N

InChI

InChI=1S/C16H12BrN3O3/c1-23-12-6-10(8-2-4-9(5-3-8)15(21)22)13(17)11-7-19-16(18)20-14(11)12/h2-7H,1H3,(H,21,22)(H2,18,19,20)