4-[[9-[4-[(E)-2-cyanoethenyl]-2,6-dimethyl-phenyl]-8-ethyl-6-methyl-purin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[9-[4-[(E)-2-cyanoethenyl]-2,6-dimethyl-phenyl]-8-ethyl-6-methyl-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[9-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenyl]-8-ethyl-6-methyl-purin-2-yl]amino]benzonitrile CAS Name: 4-[[9-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-8-ethyl-6-methyl-2-purinyl]amino]benzonitrile IUPAC Name: 4-[[9-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-8-ethyl-6-methylpurin-2-yl]amino]benzonitrile Traditional Name: 4-[[9-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenyl]-8-ethyl-6-methyl-purin-2-yl]amino]benzonitrile Formula: C26H23N7 MolecularWeight: 433.50772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=C(N=C2N1C3=C(C=C(C=C3C)C=CC#N)C)NC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCC1=NC2=C(N=C(N=C2N1C3=C(C=C(C=C3C)/C=C/C#N)C)NC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C26H23N7/c1-5-22-31-23-18(4)29-26(30-21-10-8-19(15-28)9-11-21)32-25(23)33(22)24-16(2)13-20(7-6-12-27)14-17(24)3/h6-11,13-14H,5H2,1-4H3,(H,29,30,32)/b7-6+