3-[(6-bromanyl-4-phenyl-quinazolin-2-yl)azaniumyl]propanoate

Systemtic Name: 3-[(6-bromanyl-4-phenyl-quinazolin-2-yl)azaniumyl]propanoate Openeye Name: 3-[(6-bromo-4-phenyl-quinazolin-2-yl)ammonio]propanoate CAS Name: 3-[(6-bromo-4-phenyl-2-quinazolinyl)ammonio]propanoate IUPAC Name: 3-[(6-bromo-4-phenylquinazolin-2-yl)azaniumyl]propanoate Traditional Name: 3-[(6-bromo-4-phenyl-quinazolin-2-yl)ammonio]propionate Formula: C17H14BrN3O2 MolecularWeight: 372.21596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)[NH2+]CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Br)[NH2+]CCC(=O)[O-]

InChI

InChI=1S/C17H14BrN3O2/c18-12-6-7-14-13(10-12)16(11-4-2-1-3-5-11)21-17(20-14)19-9-8-15(22)23/h1-7,10H,8-9H2,(H,22,23)(H,19,20,21)