3-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]-4-ethoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]-4-ethoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-4-ethoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-(3-bromoanilino)-6-quinazolinyl]amino]-4-ethoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-4-ethoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-4-ethoxy-cyclobut-3-ene-1,2-quinone Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

CCOC1=C(C(=O)C1=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H15BrN4O3/c1-2-28-19-16(17(26)18(19)27)24-13-6-7-15-14(9-13)20(23-10-22-15)25-12-5-3-4-11(21)8-12/h3-10,24H,2H2,1H3,(H,22,23,25)