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

Systemtic Name: 1-(4-diethoxyphosphorylbutyl)-3-ethyl-7-(2-methoxyethyl)purine-2,6-dione Openeye Name: 1-(4-diethoxyphosphorylbutyl)-3-ethyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-(4-diethoxyphosphorylbutyl)-3-ethyl-7-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 1-(4-diethoxyphosphorylbutyl)-3-ethyl-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 1-(4-diethoxyphosphorylbutyl)-3-ethyl-7-(2-methoxyethyl)xanthine Formula: C18H31N4O6P MolecularWeight: 430.435701

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(OCC)OCC)N(C=N2)CCOC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(OCC)OCC)N(C=N2)CCOC

InChI

InChI=1S/C18H31N4O6P/c1-5-21-16-15(20(14-19-16)11-12-26-4)17(23)22(18(21)24)10-8-9-13-29(25,27-6-2)28-7-3/h14H,5-13H2,1-4H3