8-(2-diethoxyphosphorylethylsulfonyl)-9-phenethyl-purin-6-amine

Systemtic Name: 8-(2-diethoxyphosphorylethylsulfonyl)-9-phenethyl-purin-6-amine Openeye Name: 8-(2-diethoxyphosphorylethylsulfonyl)-9-phenethyl-purin-6-amine CAS Name: 8-(2-diethoxyphosphorylethylsulfonyl)-9-phenethyl-6-purinamine IUPAC Name: 8-(2-diethoxyphosphorylethylsulfonyl)-9-phenethylpurin-6-amine Traditional Name: [8-(2-diethoxyphosphorylethylsulfonyl)-9-phenethyl-purin-6-yl]amine Formula: C19H26N5O5PS MolecularWeight: 467.479001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N5O5PS/c1-3-28-30(25,29-4-2)12-13-31(26,27)19-23-16-17(20)21-14-22-18(16)24(19)11-10-15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3,(H2,20,21,22)