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

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

Systemtic Name:7-(4-diethoxyphosphorylbutyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione
Openeye Name:1-benzyl-7-(4-diethoxyphosphorylbutyl)-3-methyl-purine-2,6-dione
CAS Name:7-(4-diethoxyphosphorylbutyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione
IUPAC Name:1-benzyl-7-(4-diethoxyphosphorylbutyl)-3-methylpurine-2,6-dione
Traditional Name:1-benzyl-7-(4-diethoxyphosphorylbutyl)-3-methyl-xanthine
Formula: C21H29N4O5P
MolecularWeight: 448.452521
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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)OCC


Isomeric SMILES

CCOP(=O)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)OCC


InChI

InChI=1S/C21H29N4O5P/c1-4-29-31(28,30-5-2)14-10-9-13-24-16-22-19-18(24)20(26)25(21(27)23(19)3)15-17-11-7-6-8-12-17/h6-8,11-12,16H,4-5,9-10,13-15H2,1-3H3


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