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

Systemtic Name: 4-[[4-[[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C22H18N6O MolecularWeight: 382.41792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O/c1-15-12-17(4-3-10-23)13-19(29-2)21(15)27-20-9-11-25-22(28-20)26-18-7-5-16(14-24)6-8-18/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+