methyl 3-[(2-pyridin-2-ylquinazolin-4-yl)amino]benzoate

Systemtic Name: methyl 3-[(2-pyridin-2-ylquinazolin-4-yl)amino]benzoate Openeye Name: methyl 3-[[2-(2-pyridyl)quinazolin-4-yl]amino]benzoate CAS Name: 3-[[2-(2-pyridinyl)-4-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-pyridin-2-ylquinazolin-4-yl)amino]benzoate Traditional Name: 3-[[2-(2-pyridyl)quinazolin-4-yl]amino]benzoic acid methyl ester Formula: C21H16N4O2 MolecularWeight: 356.37734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C21H16N4O2/c1-27-21(26)14-7-6-8-15(13-14)23-19-16-9-2-3-10-17(16)24-20(25-19)18-11-4-5-12-22-18/h2-13H,1H3,(H,23,24,25)