N-[2-[(3-bromophenyl)amino]quinazolin-6-yl]-3-methyl-but-2-enamide

Systemtic Name: N-[2-[(3-bromophenyl)amino]quinazolin-6-yl]-3-methyl-but-2-enamide Openeye Name: N-[2-(3-bromoanilino)quinazolin-6-yl]-3-methyl-but-2-enamide CAS Name: N-[2-(3-bromoanilino)-6-quinazolinyl]-3-methyl-2-butenamide IUPAC Name: N-[2-(3-bromoanilino)quinazolin-6-yl]-3-methylbut-2-enamide Traditional Name: N-[2-(3-bromoanilino)quinazolin-6-yl]-3-methyl-but-2-enamide Formula: C19H17BrN4O MolecularWeight: 397.26848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC2=CN=C(N=C2C=C1)NC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC(=CC(=O)NC1=CC2=CN=C(N=C2C=C1)NC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C19H17BrN4O/c1-12(2)8-18(25)22-16-6-7-17-13(9-16)11-21-19(24-17)23-15-5-3-4-14(20)10-15/h3-11H,1-2H3,(H,22,25)(H,21,23,24)