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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-morpholin-4-yl-but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-morpholino-but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-(4-morpholinyl)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-morpholin-4-ylbut-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-morpholino-but-2-ynamide Formula: C22H20BrN5O2 MolecularWeight: 466.3305

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H20BrN5O2/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30-12-10-28/h1,3-4,6-7,13-15H,8-12H2,(H,26,29)(H,24,25,27)