1-(5-diethoxyphosphorylpentyl)-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-(5-diethoxyphosphorylpentyl)-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-(5-diethoxyphosphorylpentyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-(5-diethoxyphosphorylpentyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-(5-diethoxyphosphorylpentyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(5-diethoxyphosphorylpentyl)-3-methyl-7-propyl-xanthine Formula: C18H31N4O5P MolecularWeight: 414.436301

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(OCC)OCC

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(OCC)OCC

InChI

InChI=1S/C18H31N4O5P/c1-5-11-21-14-19-16-15(21)17(23)22(18(24)20(16)4)12-9-8-10-13-28(25,26-6-2)27-7-3/h14H,5-13H2,1-4H3