N-(3-bromophenyl)-7,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: N-(3-bromophenyl)-7,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: N-(3-bromophenyl)-7,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: N-(3-bromophenyl)-7,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine IUPAC Name: N-(3-bromophenyl)-7,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (3-bromophenyl)-(7,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amine Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CNC3=C(N=CN=C3OC2=C1)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=CC(=C2CNC3=C(N=CN=C3OC2=C1)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C19H17BrN4O3/c1-25-13-7-15(26-2)14-9-21-17-18(24-12-5-3-4-11(20)6-12)22-10-23-19(17)27-16(14)8-13/h3-8,10,21H,9H2,1-2H3,(H,22,23,24)