2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrimidin-6-one

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrimidin-6-one Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrimidin-6-one CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrimidin-6-one IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrimidin-6-one Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrimidin-6-one Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C3=NC=CC(=O)N3)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C3=NC=CC(=O)N3)Br)OC1

InChI

InChI=1S/C13H11BrN2O3/c14-9-6-8(13-15-3-2-11(17)16-13)7-10-12(9)19-5-1-4-18-10/h2-3,6-7H,1,4-5H2,(H,15,16,17)