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

Systemtic Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine Openeye Name: 9-[(E)-2-(2,6-dimethylphenyl)vinyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine CAS Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-6-purinamine IUPAC Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine Traditional Name: [9-[(E)-2-(2,6-dimethylphenyl)vinyl]purin-6-yl]-(4-dimethylphosphorylphenyl)amine Formula: C23H24N5OP MolecularWeight: 417.443321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C=CN2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)P(=O)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)/C=C/N2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)P(=O)(C)C

InChI

InChI=1S/C23H24N5OP/c1-16-6-5-7-17(2)20(16)12-13-28-15-26-21-22(24-14-25-23(21)28)27-18-8-10-19(11-9-18)30(3,4)29/h5-15H,1-4H3,(H,24,25,27)/b13-12+