4-[[4-[[2-bromanyl-4-[(E)-2-cyanoethenyl]-6-methyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2-bromanyl-4-[(E)-2-cyanoethenyl]-6-methyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[2-bromo-4-[(E)-2-cyanovinyl]-6-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[2-bromo-4-[(E)-2-cyanoethenyl]-6-methylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[2-bromo-4-[(E)-2-cyanoethenyl]-6-methylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[2-bromo-4-[(E)-2-cyanovinyl]-6-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C21H15BrN6 MolecularWeight: 431.288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN6/c1-14-11-16(3-2-9-23)12-18(22)20(14)27-19-8-10-25-21(28-19)26-17-6-4-15(13-24)5-7-17/h2-8,10-12H,1H3,(H2,25,26,27,28)/b3-2+