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

Systemtic Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dipropylphosphorylphenyl)purin-6-amine Openeye Name: 9-[(E)-2-(2,6-dimethylphenyl)vinyl]-N-(4-dipropylphosphorylphenyl)purin-6-amine CAS Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dipropylphosphorylphenyl)-6-purinamine IUPAC Name: 9-[(E)-2-(2,6-dimethylphenyl)ethenyl]-N-(4-dipropylphosphorylphenyl)purin-6-amine Traditional Name: [9-[(E)-2-(2,6-dimethylphenyl)vinyl]purin-6-yl]-(4-dipropylphosphorylphenyl)amine Formula: C27H32N5OP MolecularWeight: 473.549641

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Descriptors Computed from Structure

Canonical SMILES:

CCCP(=O)(CCC)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3C=CC4=C(C=CC=C4C)C

Isomeric SMILES

CCCP(=O)(CCC)C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3/C=C/C4=C(C=CC=C4C)C

InChI

InChI=1S/C27H32N5OP/c1-5-16-34(33,17-6-2)23-12-10-22(11-13-23)31-26-25-27(29-18-28-26)32(19-30-25)15-14-24-20(3)8-7-9-21(24)4/h7-15,18-19H,5-6,16-17H2,1-4H3,(H,28,29,31)/b15-14+