9-[(E)-2-(2-chlorophenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine

Systemtic Name: 9-[(E)-2-(2-chlorophenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine Openeye Name: 9-[(E)-2-(2-chlorophenyl)vinyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine CAS Name: 9-[(E)-2-(2-chlorophenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-6-purinamine IUPAC Name: 9-[(E)-2-(2-chlorophenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine Traditional Name: [9-[(E)-2-(2-chlorophenyl)vinyl]purin-6-yl]-(4-dimethylphosphorylphenyl)amine Formula: C21H19ClN5OP MolecularWeight: 423.835221

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3C=CC4=CC=CC=C4Cl

Isomeric SMILES

CP(=O)(C)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3/C=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C21H19ClN5OP/c1-29(2,28)17-9-7-16(8-10-17)26-20-19-21(24-13-23-20)27(14-25-19)12-11-15-5-3-4-6-18(15)22/h3-14H,1-2H3,(H,23,24,26)/b12-11+