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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(OCC)OCC

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(OCC)OCC

InChI

InChI=1S/C18H31N4O6P/c1-5-26-14-21-13-19-16-15(21)17(23)22(18(24)20(16)4)11-9-8-10-12-29(25,27-6-2)28-7-3/h13H,5-12,14H2,1-4H3