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

Systemtic Name: 7-(3-diethoxyphosphorylpropyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(3-diethoxyphosphorylpropyl)-3-methyl-purine-2,6-dione CAS Name: 7-(3-diethoxyphosphorylpropyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(3-diethoxyphosphorylpropyl)-3-methylpurine-2,6-dione Traditional Name: 7-(3-diethoxyphosphorylpropyl)-3-methyl-xanthine Formula: C13H21N4O5P MolecularWeight: 344.303401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCN1C=NC2=C1C(=O)NC(=O)N2C)OCC

Isomeric SMILES

CCOP(=O)(CCCN1C=NC2=C1C(=O)NC(=O)N2C)OCC

InChI

InChI=1S/C13H21N4O5P/c1-4-21-23(20,22-5-2)8-6-7-17-9-14-11-10(17)12(18)15-13(19)16(11)3/h9H,4-8H2,1-3H3,(H,15,18,19)