methyl (E)-4-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]but-2-enoate

Systemtic Name: methyl (E)-4-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]but-2-enoate Openeye Name: methyl (E)-4-[[4-(3-bromoanilino)quinazolin-6-yl]amino]but-2-enoate CAS Name: (E)-4-[[4-(3-bromoanilino)-6-quinazolinyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[[4-(3-bromoanilino)quinazolin-6-yl]amino]but-2-enoate Traditional Name: (E)-4-[[4-(3-bromoanilino)quinazolin-6-yl]amino]but-2-enoic acid methyl ester Formula: C19H17BrN4O2 MolecularWeight: 413.26788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCNC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)/C=C/CNC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H17BrN4O2/c1-26-18(25)6-3-9-21-14-7-8-17-16(11-14)19(23-12-22-17)24-15-5-2-4-13(20)10-15/h2-8,10-12,21H,9H2,1H3,(H,22,23,24)/b6-3+