4-[[(4-azanylquinazolin-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-azanylquinazolin-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(4-aminoquinazolin-2-yl)amino]methyl]benzoic acid CAS Name: 4-[[(4-amino-2-quinazolinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(4-aminoquinazolin-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-aminoquinazolin-2-yl)amino]methyl]benzoic acid Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)NCC3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)NCC3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C16H14N4O2/c17-14-12-3-1-2-4-13(12)19-16(20-14)18-9-10-5-7-11(8-6-10)15(21)22/h1-8H,9H2,(H,21,22)(H3,17,18,19,20)