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

Systemtic Name: 1-(5-diethoxyphosphorylpentyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-(5-diethoxyphosphorylpentyl)-3-methyl-purine-2,6-dione CAS Name: 1-(5-diethoxyphosphorylpentyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-(5-diethoxyphosphorylpentyl)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-1-(5-diethoxyphosphorylpentyl)-3-methyl-xanthine Formula: C22H31N4O5P MolecularWeight: 462.479101

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C)OCC

Isomeric SMILES

CCOP(=O)(CCCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C)OCC

InChI

InChI=1S/C22H31N4O5P/c1-4-30-32(29,31-5-2)15-11-7-10-14-26-21(27)19-20(24(3)22(26)28)23-17-25(19)16-18-12-8-6-9-13-18/h6,8-9,12-13,17H,4-5,7,10-11,14-16H2,1-3H3