4-[[4-[[2-bromanyl-4-[(E)-2-cyanoprop-1-enyl]phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2-bromanyl-4-[(E)-2-cyanoprop-1-enyl]phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[2-bromo-4-[(E)-2-cyanoprop-1-enyl]anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[2-bromo-4-[(E)-2-cyanoprop-1-enyl]anilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[2-bromo-4-[(E)-2-cyanoprop-1-enyl]anilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[2-bromo-4-[(E)-2-cyanoprop-1-enyl]anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C21H15BrN6 MolecularWeight: 431.288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)Br)C#N

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)Br)/C#N

InChI

InChI=1S/C21H15BrN6/c1-14(12-23)10-16-4-7-19(18(22)11-16)27-20-8-9-25-21(28-20)26-17-5-2-15(13-24)3-6-17/h2-11H,1H3,(H2,25,26,27,28)/b14-10+