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

Systemtic Name: 1-(4-diethoxyphosphorylbutyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-(4-diethoxyphosphorylbutyl)-3-ethyl-purine-2,6-dione CAS Name: 1-(4-diethoxyphosphorylbutyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-(4-diethoxyphosphorylbutyl)-3-ethylpurine-2,6-dione Traditional Name: 7-benzyl-1-(4-diethoxyphosphorylbutyl)-3-ethyl-xanthine Formula: C22H31N4O5P MolecularWeight: 462.479101

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(OCC)OCC)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(OCC)OCC)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N4O5P/c1-4-25-20-19(24(17-23-20)16-18-12-8-7-9-13-18)21(27)26(22(25)28)14-10-11-15-32(29,30-5-2)31-6-3/h7-9,12-13,17H,4-6,10-11,14-16H2,1-3H3