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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=O)C2=C(N=CN2CCCCP(=O)(OCC)OCC)N(C1=O)C

Isomeric SMILES

CCOCN1C(=O)C2=C(N=CN2CCCCP(=O)(OCC)OCC)N(C1=O)C

InChI

InChI=1S/C17H29N4O6P/c1-5-25-13-21-16(22)14-15(19(4)17(21)23)18-12-20(14)10-8-9-11-28(24,26-6-2)27-7-3/h12H,5-11,13H2,1-4H3