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

Systemtic Name: 4-[[6-[[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methyl-phenyl]amino]-9-[(4-methoxyphenyl)methyl]purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]-9-[(4-methoxyphenyl)methyl]purin-2-yl]amino]benzonitrile CAS Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]-9-[(4-methoxyphenyl)methyl]-2-purinyl]amino]benzonitrile IUPAC Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]-9-[(4-methoxyphenyl)methyl]purin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]-9-p-anisyl-purin-2-yl]amino]benzonitrile Formula: C31H26N8O2 MolecularWeight: 542.59054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C=CC#N)OC)NC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)OC)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)/C=C/C#N)OC)NC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)OC)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H26N8O2/c1-20-15-23(5-4-14-32)16-26(41-3)27(20)36-29-28-30(38-31(37-29)35-24-10-6-21(17-33)7-11-24)39(19-34-28)18-22-8-12-25(40-2)13-9-22/h4-13,15-16,19H,18H2,1-3H3,(H2,35,36,37,38)/b5-4+