N-(4-dimethylphosphorylphenyl)-9-[(E)-2-(1H-indazol-4-yl)ethenyl]purin-6-amine

Systemtic Name: N-(4-dimethylphosphorylphenyl)-9-[(E)-2-(1H-indazol-4-yl)ethenyl]purin-6-amine Openeye Name: N-(4-dimethylphosphorylphenyl)-9-[(E)-2-(1H-indazol-4-yl)vinyl]purin-6-amine CAS Name: N-(4-dimethylphosphorylphenyl)-9-[(E)-2-(1H-indazol-4-yl)ethenyl]-6-purinamine IUPAC Name: N-(4-dimethylphosphorylphenyl)-9-[(E)-2-(1H-indazol-4-yl)ethenyl]purin-6-amine Traditional Name: (4-dimethylphosphorylphenyl)-[9-[(E)-2-(1H-indazol-4-yl)vinyl]purin-6-yl]amine Formula: C22H20N7OP MolecularWeight: 429.414261

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3C=CC4=C5C=NNC5=CC=C4

Isomeric SMILES

CP(=O)(C)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3/C=C/C4=C5C=NNC5=CC=C4

InChI

InChI=1S/C22H20N7OP/c1-31(2,30)17-8-6-16(7-9-17)27-21-20-22(24-13-23-21)29(14-25-20)11-10-15-4-3-5-19-18(15)12-26-28-19/h3-14H,1-2H3,(H,26,28)(H,23,24,27)/b11-10+