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

Systemtic Name: 4-[bis(2-methoxyethyl)amino]-N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]but-2-ynamide Openeye Name: 4-[bis(2-methoxyethyl)amino]-N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide CAS Name: 4-[bis(2-methoxyethyl)amino]-N-[4-(3-bromoanilino)-6-quinazolinyl]-2-butynamide IUPAC Name: 4-[bis(2-methoxyethyl)amino]-N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide Traditional Name: 4-[bis(2-methoxyethyl)amino]-N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide Formula: C24H26BrN5O3 MolecularWeight: 512.39894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrN5O3/c1-32-13-11-30(12-14-33-2)10-4-7-23(31)28-20-8-9-22-21(16-20)24(27-17-26-22)29-19-6-3-5-18(25)15-19/h3,5-6,8-9,15-17H,10-14H2,1-2H3,(H,28,31)(H,26,27,29)