6-[5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-[5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone IUPAC Name: 6-[5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-[5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC(=O)C(=C2C(=CN=CN2)OC3=CC=CC=C3Br)C=C1

Isomeric SMILES

CC(=C)COC1=CC(=O)C(=C2C(=CN=CN2)OC3=CC=CC=C3Br)C=C1

InChI

InChI=1S/C20H17BrN2O3/c1-13(2)11-25-14-7-8-15(17(24)9-14)20-19(10-22-12-23-20)26-18-6-4-3-5-16(18)21/h3-10,12H,1,11H2,2H3,(H,22,23)