4-[[(6-bromanylquinazolin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(6-bromanylquinazolin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6-bromoquinazolin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(6-bromo-4-quinazolinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(6-bromoquinazolin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-bromoquinazolin-4-yl)amino]methyl]benzoic acid Formula: C16H12BrN3O2 MolecularWeight: 358.18938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H12BrN3O2/c17-12-5-6-14-13(7-12)15(20-9-19-14)18-8-10-1-3-11(4-2-10)16(21)22/h1-7,9H,8H2,(H,21,22)(H,18,19,20)