N-(3-bromophenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: N-(3-bromophenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: N-(3-bromophenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: N-(3-bromophenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine IUPAC Name: N-(3-bromophenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (3-bromophenyl)-(5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amine Formula: C17H13BrN4O MolecularWeight: 369.21532

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=NC=NC(=C3N1)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1C2=CC=CC=C2OC3=NC=NC(=C3N1)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C17H13BrN4O/c18-12-5-3-6-13(8-12)22-16-15-17(21-10-20-16)23-14-7-2-1-4-11(14)9-19-15/h1-8,10,19H,9H2,(H,20,21,22)