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

Systemtic Name: 3-azanyl-4-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[[4-(3-bromoanilino)quinazolin-6-yl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[[4-(3-bromoanilino)-6-quinazolinyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[[4-(3-bromoanilino)quinazolin-6-yl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[[4-(3-bromoanilino)quinazolin-6-yl]amino]cyclobut-3-ene-1,2-quinone Formula: C18H12BrN5O2 MolecularWeight: 410.22418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC4=C(C(=O)C4=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC4=C(C(=O)C4=O)N

InChI

InChI=1S/C18H12BrN5O2/c19-9-2-1-3-10(6-9)24-18-12-7-11(4-5-13(12)21-8-22-18)23-15-14(20)16(25)17(15)26/h1-8,23H,20H2,(H,21,22,24)