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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-[methyl(propan-2-yl)amino]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-[isopropyl(methyl)amino]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-[methyl(propan-2-yl)amino]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-[methyl(propan-2-yl)amino]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-[isopropyl(methyl)amino]but-2-ynamide Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O/c1-15(2)28(3)11-5-8-21(29)26-18-9-10-20-19(13-18)22(25-14-24-20)27-17-7-4-6-16(23)12-17/h4,6-7,9-10,12-15H,11H2,1-3H3,(H,26,29)(H,24,25,27)