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

Systemtic Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-propan-2-yl-purin-6-amine Openeye Name: 9-[(E)-2-(2,6-dimethylphenyl)vinyl]-N-(4-dimethylphosphorylphenyl)-2-isopropyl-purin-6-amine CAS Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-propan-2-yl-6-purinamine IUPAC Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-propan-2-ylpurin-6-amine Traditional Name: [9-[(E)-2-(2,6-dimethylphenyl)vinyl]-2-isopropyl-purin-6-yl]-(4-dimethylphosphorylphenyl)amine Formula: C26H30N5OP MolecularWeight: 459.523061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N5OP/c1-17(2)24-29-25(28-20-10-12-21(13-11-20)33(5,6)32)23-26(30-24)31(16-27-23)15-14-22-18(3)8-7-9-19(22)4/h7-17H,1-6H3,(H,28,29,30)/b15-14+