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

Systemtic Name: 4-[[6-[[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methyl-phenyl]amino]-9-ethyl-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]-9-ethyl-purin-2-yl]amino]benzonitrile CAS Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]-9-ethyl-2-purinyl]amino]benzonitrile IUPAC Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]-9-ethylpurin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]-9-ethyl-purin-2-yl]amino]benzonitrile Formula: C25H22N8O MolecularWeight: 450.49518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=C(C=C(C=C3OC)C=CC#N)C)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=C(C=C(C=C3OC)/C=C/C#N)C)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22N8O/c1-4-33-15-28-22-23(30-21-16(2)12-18(6-5-11-26)13-20(21)34-3)31-25(32-24(22)33)29-19-9-7-17(14-27)8-10-19/h5-10,12-13,15H,4H2,1-3H3,(H2,29,30,31,32)/b6-5+