2-(2-cyclohexylethyl)-8-[(E)-3-dimethoxyphosphorylprop-1-enyl]-7H-purin-6-amine

Systemtic Name: 2-(2-cyclohexylethyl)-8-[(E)-3-dimethoxyphosphorylprop-1-enyl]-7H-purin-6-amine Openeye Name: 2-(2-cyclohexylethyl)-8-[(E)-3-dimethoxyphosphorylprop-1-enyl]-7H-purin-6-amine CAS Name: 2-(2-cyclohexylethyl)-8-[(E)-3-dimethoxyphosphorylprop-1-enyl]-7H-purin-6-amine IUPAC Name: 2-(2-cyclohexylethyl)-8-[(E)-3-dimethoxyphosphorylprop-1-enyl]-7H-purin-6-amine Traditional Name: [2-(2-cyclohexylethyl)-8-[(E)-3-dimethoxyphosphorylprop-1-enyl]-7H-purin-6-yl]amine Formula: C18H28N5O3P MolecularWeight: 393.420381

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC=CC1=NC2=C(N1)C(=NC(=N2)CCC3CCCCC3)N)OC

Isomeric SMILES

COP(=O)(C/C=C/C1=NC2=C(N1)C(=NC(=N2)CCC3CCCCC3)N)OC

InChI

InChI=1S/C18H28N5O3P/c1-25-27(24,26-2)12-6-9-14-20-16-17(19)21-15(23-18(16)22-14)11-10-13-7-4-3-5-8-13/h6,9,13H,3-5,7-8,10-12H2,1-2H3,(H3,19,20,21,22,23)/b9-6+