methyl 2-[(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(6-bromo-4-oxo-quinazolin-3-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(6-bromo-4-oxo-3-quinazolinyl)methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(6-bromo-4-keto-quinazolin-3-yl)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H16BrN3O3 MolecularWeight: 438.27404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3C=NC4=C(C3=O)C=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3C=NC4=C(C3=O)C=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C21H16BrN3O3/c1-12-14-5-3-4-6-17(14)24-18(19(12)21(27)28-2)10-25-11-23-16-8-7-13(22)9-15(16)20(25)26/h3-9,11H,10H2,1-2H3