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

Systemtic Name: 3-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]-4-(methylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-4-(methylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-(3-bromoanilino)-6-quinazolinyl]amino]-4-(methylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-4-(methylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-4-(methylamino)cyclobut-3-ene-1,2-quinone Formula: C19H14BrN5O2 MolecularWeight: 424.25076

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C1=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

CNC1=C(C(=O)C1=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H14BrN5O2/c1-21-15-16(18(27)17(15)26)24-12-5-6-14-13(8-12)19(23-9-22-14)25-11-4-2-3-10(20)7-11/h2-9,21,24H,1H3,(H,22,23,25)