4-[[6-[[4-[(E)-2-cyanoprop-1-enyl]-2-methoxy-6-methyl-phenyl]amino]-9-propan-2-yl-purin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-[[4-[(E)-2-cyanoprop-1-enyl]-2-methoxy-6-methyl-phenyl]amino]-9-propan-2-yl-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-[(E)-2-cyanoprop-1-enyl]-2-methoxy-6-methyl-anilino]-9-isopropyl-purin-2-yl]amino]benzonitrile CAS Name: 4-[[6-[4-[(E)-2-cyanoprop-1-enyl]-2-methoxy-6-methylanilino]-9-propan-2-yl-2-purinyl]amino]benzonitrile IUPAC Name: 4-[[6-[4-[(E)-2-cyanoprop-1-enyl]-2-methoxy-6-methylanilino]-9-propan-2-ylpurin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-[(E)-2-cyanoprop-1-enyl]-2-methoxy-6-methyl-anilino]-9-isopropyl-purin-2-yl]amino]benzonitrile Formula: C27H26N8O MolecularWeight: 478.54834

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N8O/c1-16(2)35-15-30-24-25(32-23-18(4)11-20(10-17(3)13-28)12-22(23)36-5)33-27(34-26(24)35)31-21-8-6-19(14-29)7-9-21/h6-12,15-16H,1-5H3,(H2,31,32,33,34)/b17-10+