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

Systemtic Name: 7-(4-diethoxyphosphorylbutyl)-1-ethyl-3-methyl-purine-2,6-dione Openeye Name: 7-(4-diethoxyphosphorylbutyl)-1-ethyl-3-methyl-purine-2,6-dione CAS Name: 7-(4-diethoxyphosphorylbutyl)-1-ethyl-3-methylpurine-2,6-dione IUPAC Name: 7-(4-diethoxyphosphorylbutyl)-1-ethyl-3-methylpurine-2,6-dione Traditional Name: 7-(4-diethoxyphosphorylbutyl)-1-ethyl-3-methyl-xanthine Formula: C16H27N4O5P MolecularWeight: 386.383141

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CCCCP(=O)(OCC)OCC)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CCCCP(=O)(OCC)OCC)N(C1=O)C

InChI

InChI=1S/C16H27N4O5P/c1-5-20-15(21)13-14(18(4)16(20)22)17-12-19(13)10-8-9-11-26(23,24-6-2)25-7-3/h12H,5-11H2,1-4H3