8-bromanyl-N-(phenylmethyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: 8-bromanyl-N-(phenylmethyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: N-benzyl-8-bromo-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: 8-bromo-N-(phenylmethyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine IUPAC Name: N-benzyl-8-bromo-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: benzyl-(8-bromo-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amine Formula: C18H15BrN4O MolecularWeight: 383.2419

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Br)OC3=NC=NC(=C3N1)NCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)Br)OC3=NC=NC(=C3N1)NCC4=CC=CC=C4

InChI

InChI=1S/C18H15BrN4O/c19-14-6-7-15-13(8-14)10-20-16-17(22-11-23-18(16)24-15)21-9-12-4-2-1-3-5-12/h1-8,11,20H,9-10H2,(H,21,22,23)