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

Systemtic Name: 1-(4-diethoxyphosphorylbutyl)-8-ethyl-7-methyl-3H-purine-2,6-dione Openeye Name: 1-(4-diethoxyphosphorylbutyl)-8-ethyl-7-methyl-3H-purine-2,6-dione CAS Name: 1-(4-diethoxyphosphorylbutyl)-8-ethyl-7-methyl-3H-purine-2,6-dione IUPAC Name: 1-(4-diethoxyphosphorylbutyl)-8-ethyl-7-methyl-3H-purine-2,6-dione Traditional Name: 1-(4-diethoxyphosphorylbutyl)-8-ethyl-7-methyl-xanthine Formula: C16H27N4O5P MolecularWeight: 386.383141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C)C(=O)N(C(=O)N2)CCCCP(=O)(OCC)OCC

Isomeric SMILES

CCC1=NC2=C(N1C)C(=O)N(C(=O)N2)CCCCP(=O)(OCC)OCC

InChI

InChI=1S/C16H27N4O5P/c1-5-12-17-14-13(19(12)4)15(21)20(16(22)18-14)10-8-9-11-26(23,24-6-2)25-7-3/h5-11H2,1-4H3,(H,18,22)