2-[[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]methyl]prop-2-enoic acid

Systemtic Name: 2-[[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]methyl]prop-2-enoic acid Openeye Name: 2-[[[4-(3-bromoanilino)quinazolin-6-yl]amino]methyl]prop-2-enoic acid CAS Name: 2-[[[4-(3-bromoanilino)-6-quinazolinyl]amino]methyl]-2-propenoic acid IUPAC Name: 2-[[[4-(3-bromoanilino)quinazolin-6-yl]amino]methyl]prop-2-enoic acid Traditional Name: 2-[[[4-(3-bromoanilino)quinazolin-6-yl]amino]methyl]acrylic acid Formula: C18H15BrN4O2 MolecularWeight: 399.2413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O2/c1-11(18(24)25)9-20-13-5-6-16-15(8-13)17(22-10-21-16)23-14-4-2-3-12(19)7-14/h2-8,10,20H,1,9H2,(H,24,25)(H,21,22,23)