7-(4-diethoxyphosphorylbutyl)-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione

Systemtic Name: 7-(4-diethoxyphosphorylbutyl)-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 7-(4-diethoxyphosphorylbutyl)-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione CAS Name: 7-(4-diethoxyphosphorylbutyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(4-diethoxyphosphorylbutyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione Traditional Name: 7-(4-diethoxyphosphorylbutyl)-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine Formula: C21H37N4O6P MolecularWeight: 472.515441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O)OCC

Isomeric SMILES

CCOP(=O)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O)OCC

InChI

InChI=1S/C21H37N4O6P/c1-6-30-32(29,31-7-2)15-11-10-13-24-16-22-18-17(24)19(26)25(20(27)23(18)5)14-9-8-12-21(3,4)28/h16,28H,6-15H2,1-5H3