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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-[2-methoxyethyl(methyl)amino]but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-[2-methoxyethyl(methyl)amino]but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-4-[2-methoxyethyl(methyl)amino]-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-[2-methoxyethyl(methyl)amino]but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-[2-methoxyethyl(methyl)amino]but-2-ynamide Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O2/c1-28(11-12-30-2)10-4-7-21(29)26-18-8-9-20-19(14-18)22(25-15-24-20)27-17-6-3-5-16(23)13-17/h3,5-6,8-9,13-15H,10-12H2,1-2H3,(H,26,29)(H,24,25,27)