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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-[di(propan-2-yl)amino]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(diisopropylamino)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-[di(propan-2-yl)amino]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-[di(propan-2-yl)amino]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(diisopropylamino)but-2-ynamide Formula: C24H26BrN5O MolecularWeight: 480.40014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrN5O/c1-16(2)30(17(3)4)12-6-9-23(31)28-20-10-11-22-21(14-20)24(27-15-26-22)29-19-8-5-7-18(25)13-19/h5,7-8,10-11,13-17H,12H2,1-4H3,(H,28,31)(H,26,27,29)