8-[(E)-3-diethoxyphosphorylprop-1-enyl]-9-phenethyl-purin-6-amine

Systemtic Name: 8-[(E)-3-diethoxyphosphorylprop-1-enyl]-9-phenethyl-purin-6-amine Openeye Name: 8-[(E)-3-diethoxyphosphorylprop-1-enyl]-9-phenethyl-purin-6-amine CAS Name: 8-[(E)-3-diethoxyphosphorylprop-1-enyl]-9-phenethyl-6-purinamine IUPAC Name: 8-[(E)-3-diethoxyphosphorylprop-1-enyl]-9-phenethylpurin-6-amine Traditional Name: [8-[(E)-3-diethoxyphosphorylprop-1-enyl]-9-phenethyl-purin-6-yl]amine Formula: C20H26N5O3P MolecularWeight: 415.425901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC=CC1=NC2=C(N1CCC3=CC=CC=C3)N=CN=C2N)OCC

Isomeric SMILES

CCOP(=O)(C/C=C/C1=NC2=C(N1CCC3=CC=CC=C3)N=CN=C2N)OCC

InChI

InChI=1S/C20H26N5O3P/c1-3-27-29(26,28-4-2)14-8-11-17-24-18-19(21)22-15-23-20(18)25(17)13-12-16-9-6-5-7-10-16/h5-11,15H,3-4,12-14H2,1-2H3,(H2,21,22,23)/b11-8+