7-(4-diethoxyphosphorylbutyl)-8-(1-methoxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-(4-diethoxyphosphorylbutyl)-8-(1-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(4-diethoxyphosphorylbutyl)-8-(1-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(4-diethoxyphosphorylbutyl)-8-(1-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(4-diethoxyphosphorylbutyl)-8-(1-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 7-(4-diethoxyphosphorylbutyl)-8-(1-methoxyethyl)-3-methyl-xanthine Formula: C17H29N4O6P MolecularWeight: 416.409121

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCN1C2=C(N=C1C(C)OC)N(C(=O)NC2=O)C)OCC

Isomeric SMILES

CCOP(=O)(CCCCN1C2=C(N=C1C(C)OC)N(C(=O)NC2=O)C)OCC

InChI

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