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

Systemtic Name: 6-[2-azanyl-5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC(=O)C(=C2C(=CN=C(N2)N)OC3=CC=CC=C3Br)C=C1

Isomeric SMILES

CC(=C)COC1=CC(=O)C(=C2C(=CN=C(N2)N)OC3=CC=CC=C3Br)C=C1

InChI

InChI=1S/C20H18BrN3O3/c1-12(2)11-26-13-7-8-14(16(25)9-13)19-18(10-23-20(22)24-19)27-17-6-4-3-5-15(17)21/h3-10H,1,11H2,2H3,(H3,22,23,24)