9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-pyrrolidin-1-yl-purin-6-amine

Systemtic Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-pyrrolidin-1-yl-purin-6-amine Openeye Name: 9-[(E)-2-(2,6-dimethylphenyl)vinyl]-N-(4-dimethylphosphorylphenyl)-2-pyrrolidin-1-yl-purin-6-amine CAS Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-(1-pyrrolidinyl)-6-purinamine IUPAC Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-pyrrolidin-1-ylpurin-6-amine Traditional Name: [9-[(E)-2-(2,6-dimethylphenyl)vinyl]-2-pyrrolidino-purin-6-yl]-(4-dimethylphosphorylphenyl)amine Formula: C27H31N6OP MolecularWeight: 486.548401

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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)N5CCCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)/C=C/N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)P(=O)(C)C)N5CCCC5

InChI

InChI=1S/C27H31N6OP/c1-19-8-7-9-20(2)23(19)14-17-33-18-28-24-25(29-21-10-12-22(13-11-21)35(3,4)34)30-27(31-26(24)33)32-15-5-6-16-32/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,29,30,31)/b17-14+