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

Systemtic Name: 4-[[9-[4-[(E)-2-cyanoethenyl]-2,6-dimethyl-phenyl]-6-methyl-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[9-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenyl]-6-methyl-purin-2-yl]amino]benzonitrile CAS Name: 4-[[9-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-6-methyl-2-purinyl]amino]benzonitrile IUPAC Name: 4-[[9-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]-6-methylpurin-2-yl]amino]benzonitrile Traditional Name: 4-[[9-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenyl]-6-methyl-purin-2-yl]amino]benzonitrile Formula: C24H19N7 MolecularWeight: 405.45456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C=NC3=C(N=C(N=C32)NC4=CC=C(C=C4)C#N)C)C)C=CC#N

Isomeric SMILES

CC1=CC(=CC(=C1N2C=NC3=C(N=C(N=C32)NC4=CC=C(C=C4)C#N)C)C)/C=C/C#N

InChI

InChI=1S/C24H19N7/c1-15-11-19(5-4-10-25)12-16(2)22(15)31-14-27-21-17(3)28-24(30-23(21)31)29-20-8-6-18(13-26)7-9-20/h4-9,11-12,14H,1-3H3,(H,28,29,30)/b5-4+