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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide Formula: C18H13BrN4O MolecularWeight: 381.22602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)