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

Systemtic Name: 4-[[6-[[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methyl-phenyl]amino]-9-propan-2-yl-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]-9-isopropyl-purin-2-yl]amino]benzonitrile CAS Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]-9-propan-2-yl-2-purinyl]amino]benzonitrile IUPAC Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]-9-propan-2-ylpurin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]-9-isopropyl-purin-2-yl]amino]benzonitrile Formula: C26H24N8O MolecularWeight: 464.52176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C=CC#N)OC)NC2=NC(=NC3=C2N=CN3C(C)C)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)/C=C/C#N)OC)NC2=NC(=NC3=C2N=CN3C(C)C)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H24N8O/c1-16(2)34-15-29-23-24(31-22-17(3)12-19(6-5-11-27)13-21(22)35-4)32-26(33-25(23)34)30-20-9-7-18(14-28)8-10-20/h5-10,12-13,15-16H,1-4H3,(H2,30,31,32,33)/b6-5+