N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-2-cyano-ethanamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-2-cyano-ethanamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2-cyano-acetamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-2-cyanoacetamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2-cyanoacetamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2-cyano-acetamide Formula: C17H12BrN5O MolecularWeight: 382.21408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C17H12BrN5O/c18-11-2-1-3-12(8-11)23-17-14-9-13(22-16(24)6-7-19)4-5-15(14)20-10-21-17/h1-5,8-10H,6H2,(H,22,24)(H,20,21,23)