4-[5-(5-cyanopyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[5-(5-cyanopyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(5-cyano-3-pyridyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(5-cyano-3-pyridinyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(5-cyanopyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(5-cyano-3-pyridyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Formula: C23H17N5O3 MolecularWeight: 411.41278

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CN=CC(=C4)C#N

Isomeric SMILES

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CN=CC(=C4)C#N

InChI

InChI=1S/C23H17N5O3/c1-25-23-27-12-19-17(16-7-13(9-24)10-26-11-16)8-18(21(31-2)20(19)28-23)14-3-5-15(6-4-14)22(29)30/h3-8,10-12H,1-2H3,(H,29,30)(H,25,27,28)