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

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

Systemtic Name:1-(3-diethoxyphosphorylpropyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione
Openeye Name:7-benzyl-1-(3-diethoxyphosphorylpropyl)-3-methyl-purine-2,6-dione
CAS Name:1-(3-diethoxyphosphorylpropyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione
IUPAC Name:7-benzyl-1-(3-diethoxyphosphorylpropyl)-3-methylpurine-2,6-dione
Traditional Name:7-benzyl-1-(3-diethoxyphosphorylpropyl)-3-methyl-xanthine
Formula: C20H27N4O5P
MolecularWeight: 434.425941
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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C)OCC


Isomeric SMILES

CCOP(=O)(CCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C)OCC


InChI

InChI=1S/C20H27N4O5P/c1-4-28-30(27,29-5-2)13-9-12-24-19(25)17-18(22(3)20(24)26)21-15-23(17)14-16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14H2,1-3H3


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