1-(4-diethoxyphosphorylbutyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 1-(4-diethoxyphosphorylbutyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 1-(4-diethoxyphosphorylbutyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 1-(4-diethoxyphosphorylbutyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 1-(4-diethoxyphosphorylbutyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 1-(4-diethoxyphosphorylbutyl)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C17H29N4O6P MolecularWeight: 416.409121

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCN1C(=O)C2=C(N=CN2CCOC)N(C1=O)C)OCC

Isomeric SMILES

CCOP(=O)(CCCCN1C(=O)C2=C(N=CN2CCOC)N(C1=O)C)OCC

InChI

InChI=1S/C17H29N4O6P/c1-5-26-28(24,27-6-2)12-8-7-9-21-16(22)14-15(19(3)17(21)23)18-13-20(14)10-11-25-4/h13H,5-12H2,1-4H3