methyl (E)-5-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]pent-2-enoate

Systemtic Name: methyl (E)-5-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]pent-2-enoate Openeye Name: methyl (E)-5-[[4-(3-bromoanilino)quinazolin-6-yl]amino]pent-2-enoate CAS Name: (E)-5-[[4-(3-bromoanilino)-6-quinazolinyl]amino]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[[4-(3-bromoanilino)quinazolin-6-yl]amino]pent-2-enoate Traditional Name: (E)-5-[[4-(3-bromoanilino)quinazolin-6-yl]amino]pent-2-enoic acid methyl ester Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCNC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O2/c1-27-19(26)7-2-3-10-22-15-8-9-18-17(12-15)20(24-13-23-18)25-16-6-4-5-14(21)11-16/h2,4-9,11-13,22H,3,10H2,1H3,(H,23,24,25)/b7-2+