9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-pyridin-3-yloxy-purin-6-amine

Systemtic Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-pyridin-3-yloxy-purin-6-amine Openeye Name: 9-[(E)-2-(2,6-dimethylphenyl)vinyl]-N-(4-dimethylphosphorylphenyl)-2-(3-pyridyloxy)purin-6-amine CAS Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-(3-pyridinyloxy)-6-purinamine IUPAC Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-pyridin-3-yloxypurin-6-amine Traditional Name: [9-[(E)-2-(2,6-dimethylphenyl)vinyl]-2-(3-pyridyloxy)purin-6-yl]-(4-dimethylphosphorylphenyl)amine Formula: C28H27N6O2P MolecularWeight: 510.526741

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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)OC5=CN=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)/C=C/N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)P(=O)(C)C)OC5=CN=CC=C5

InChI

InChI=1S/C28H27N6O2P/c1-19-7-5-8-20(2)24(19)14-16-34-18-30-25-26(31-21-10-12-23(13-11-21)37(3,4)35)32-28(33-27(25)34)36-22-9-6-15-29-17-22/h5-18H,1-4H3,(H,31,32,33)/b16-14+