4-[[6-[[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methyl-phenyl]amino]-7H-purin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-[[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methyl-phenyl]amino]-7H-purin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]-7H-purin-2-yl]amino]benzonitrile CAS Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]-7H-purin-2-yl]amino]benzonitrile IUPAC Name: 4-[[6-[4-[(E)-2-cyanoethenyl]-2-methoxy-6-methylanilino]-7H-purin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-[4-[(E)-2-cyanovinyl]-2-methoxy-6-methyl-anilino]-7H-purin-2-yl]amino]benzonitrile Formula: C23H18N8O MolecularWeight: 422.44202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C=CC#N)OC)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)/C=C/C#N)OC)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H18N8O/c1-14-10-16(4-3-9-24)11-18(32-2)19(14)29-22-20-21(27-13-26-20)30-23(31-22)28-17-7-5-15(12-25)6-8-17/h3-8,10-11,13H,1-2H3,(H3,26,27,28,29,30,31)/b4-3+