1-(5-diethoxyphosphorylpentyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 1-(5-diethoxyphosphorylpentyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 1-(5-diethoxyphosphorylpentyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 1-(5-diethoxyphosphorylpentyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 1-(5-diethoxyphosphorylpentyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 1-(5-diethoxyphosphorylpentyl)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C18H31N4O6P MolecularWeight: 430.435701

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCCN1C(=O)C2=C(N=CN2CCOC)N(C1=O)C)OCC

Isomeric SMILES

CCOP(=O)(CCCCCN1C(=O)C2=C(N=CN2CCOC)N(C1=O)C)OCC

InChI

InChI=1S/C18H31N4O6P/c1-5-27-29(25,28-6-2)13-9-7-8-10-22-17(23)15-16(20(3)18(22)24)19-14-21(15)11-12-26-4/h14H,5-13H2,1-4H3