4-[[4-[[2-bromanyl-4-[(E)-2-cyanoethenyl]phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2-bromanyl-4-[(E)-2-cyanoethenyl]phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[2-bromo-4-[(E)-2-cyanovinyl]anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[2-bromo-4-[(E)-2-cyanoethenyl]anilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[2-bromo-4-[(E)-2-cyanoethenyl]anilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[2-bromo-4-[(E)-2-cyanovinyl]anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C20H13BrN6 MolecularWeight: 417.26142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)NC3=C(C=C(C=C3)C=CC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)NC3=C(C=C(C=C3)/C=C/C#N)Br

InChI

InChI=1S/C20H13BrN6/c21-17-12-14(2-1-10-22)5-8-18(17)26-19-9-11-24-20(27-19)25-16-6-3-15(13-23)4-7-16/h1-9,11-12H,(H2,24,25,26,27)/b2-1+