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

Systemtic Name: 4-[[4-[[4-[(E)-2-cyanoethenyl]-2-methyl-phenyl]-methyl-amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-[(E)-2-cyanovinyl]-N,2-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-N,2-dimethylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-N,2-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-[(E)-2-cyanovinyl]-N,2-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C22H18N6 MolecularWeight: 366.41852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6/c1-16-14-17(4-3-12-23)7-10-20(16)28(2)21-11-13-25-22(27-21)26-19-8-5-18(15-24)6-9-19/h3-11,13-14H,1-2H3,(H,25,26,27)/b4-3+