methyl 4-(2-azanyl-5-bromanyl-8-methoxy-quinazolin-6-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-5-bromanyl-8-methoxy-quinazolin-6-yl)benzoate Openeye Name: methyl 4-(2-amino-5-bromo-8-methoxy-quinazolin-6-yl)benzoate CAS Name: 4-(2-amino-5-bromo-8-methoxy-6-quinazolinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-5-bromo-8-methoxyquinazolin-6-yl)benzoate Traditional Name: 4-(2-amino-5-bromo-8-methoxy-quinazolin-6-yl)benzoic acid methyl ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O3/c1-23-13-7-11(9-3-5-10(6-4-9)16(22)24-2)14(18)12-8-20-17(19)21-15(12)13/h3-8H,1-2H3,(H2,19,20,21)