methyl 2-[[(E)-4-[[4-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enyl]-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[(E)-4-[[4-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enyl]-methyl-amino]ethanoate Openeye Name: methyl 2-[[(E)-4-[[4-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]amino]-4-oxo-but-2-enyl]-methyl-amino]acetate CAS Name: 2-[[(E)-4-[[4-(3-bromoanilino)-7-methoxy-6-quinazolinyl]amino]-4-oxobut-2-enyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(E)-4-[[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]amino]-4-oxobut-2-enyl]-methylamino]acetate Traditional Name: 2-[[(E)-4-[[4-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]amino]-4-keto-but-2-enyl]-methyl-amino]acetic acid methyl ester Formula: C23H24BrN5O4 MolecularWeight: 514.37176

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC)CC(=O)OC

Isomeric SMILES

CN(C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC)CC(=O)OC

InChI

InChI=1S/C23H24BrN5O4/c1-29(13-22(31)33-3)9-5-8-21(30)28-19-11-17-18(12-20(19)32-2)25-14-26-23(17)27-16-7-4-6-15(24)10-16/h4-8,10-12,14H,9,13H2,1-3H3,(H,28,30)(H,25,26,27)/b8-5+