5-[5-(5-chloranylpyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-(5-chloranylpyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]thiophene-2-carboxylic acid Openeye Name: 5-[5-(5-chloro-3-pyridyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]thiophene-2-carboxylic acid CAS Name: 5-[5-(5-chloro-3-pyridinyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-(5-chloropyridin-3-yl)-8-methoxy-2-(methylamino)quinazolin-7-yl]thiophene-2-carboxylic acid Traditional Name: 5-[5-(5-chloro-3-pyridyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2-thenoic acid Formula: C20H15ClN4O3S MolecularWeight: 426.8761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(S3)C(=O)O)C4=CC(=CN=C4)Cl

Isomeric SMILES

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(S3)C(=O)O)C4=CC(=CN=C4)Cl

InChI

InChI=1S/C20H15ClN4O3S/c1-22-20-24-9-14-12(10-5-11(21)8-23-7-10)6-13(18(28-2)17(14)25-20)15-3-4-16(29-15)19(26)27/h3-9H,1-2H3,(H,26,27)(H,22,24,25)