2-[4-(2-azaniumylethylamino)quinazolin-2-yl]phenolate

Systemtic Name: 2-[4-(2-azaniumylethylamino)quinazolin-2-yl]phenolate Openeye Name: 2-[4-(2-azaniumylethylamino)quinazolin-2-yl]phenolate CAS Name: 2-[4-(2-ammonioethylamino)-2-quinazolinyl]phenolate IUPAC Name: 2-[4-(2-azaniumylethylamino)quinazolin-2-yl]phenolate Traditional Name: 2-[4-(2-ammonioethylamino)quinazolin-2-yl]phenolate Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3[O-])NCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3[O-])NCC[NH3+]

InChI

InChI=1S/C16H16N4O/c17-9-10-18-15-11-5-1-3-7-13(11)19-16(20-15)12-6-2-4-8-14(12)21/h1-8,21H,9-10,17H2,(H,18,19,20)