8,9-dimethoxy-N-(3-methylphenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: 8,9-dimethoxy-N-(3-methylphenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: 8,9-dimethoxy-N-(m-tolyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: 8,9-dimethoxy-N-(3-methylphenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine IUPAC Name: 8,9-dimethoxy-N-(3-methylphenyl)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)-(m-tolyl)amine Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C3C(=NC=N2)OC4=CC(=C(C=C4CN3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C3C(=NC=N2)OC4=CC(=C(C=C4CN3)OC)OC

InChI

InChI=1S/C20H20N4O3/c1-12-5-4-6-14(7-12)24-19-18-20(23-11-22-19)27-15-9-17(26-3)16(25-2)8-13(15)10-21-18/h4-9,11,21H,10H2,1-3H3,(H,22,23,24)