N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(2-methoxyethoxy)but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(2-methoxyethoxy)but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(2-methoxyethoxy)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-(2-methoxyethoxy)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(2-methoxyethoxy)but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(2-methoxyethoxy)but-2-ynamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

Isomeric SMILES

COCCOCC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrN4O3/c1-28-10-11-29-9-3-6-20(27)25-17-7-8-19-18(13-17)21(24-14-23-19)26-16-5-2-4-15(22)12-16/h2,4-5,7-8,12-14H,9-11H2,1H3,(H,25,27)(H,23,24,26)