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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-(dimethylamino)but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-(dimethylamino)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)but-2-ynamide Formula: C20H18BrN5O MolecularWeight: 424.29382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3,5-6,8-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)