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

Systemtic Name: 1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)-3-ethyl-purine-2,6-dione Openeye Name: 1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)-3-ethyl-purine-2,6-dione CAS Name: 1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)-3-ethylpurine-2,6-dione IUPAC Name: 1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)-3-ethylpurine-2,6-dione Traditional Name: 1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)-3-ethyl-xanthine Formula: C18H31N4O6P MolecularWeight: 430.435701

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(OCC)OCC)N(C=N2)COCC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(OCC)OCC)N(C=N2)COCC

InChI

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