4-methoxy-5H-pyrimido[4,5-b][1,4]benzoxazepin-6-one

Systemtic Name: 4-methoxy-5H-pyrimido[4,5-b][1,4]benzoxazepin-6-one Openeye Name: 4-methoxy-5H-pyrimido[4,5-b][1,4]benzoxazepin-6-one CAS Name: 4-methoxy-5H-pyrimido[4,5-b][1,4]benzoxazepin-6-one IUPAC Name: 4-methoxy-5H-pyrimido[4,5-b][1,4]benzoxazepin-6-one Traditional Name: 4-methoxy-5H-pyrimido[4,5-b][1,4]benzoxazepin-6-one Formula: C12H9N3O3 MolecularWeight: 243.21816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1NC(=O)C3=CC=CC=C3O2

Isomeric SMILES

COC1=NC=NC2=C1NC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C12H9N3O3/c1-17-11-9-12(14-6-13-11)18-8-5-3-2-4-7(8)10(16)15-9/h2-6H,1H3,(H,15,16)