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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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