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

Systemtic Name: 7-(cyclopropylmethyl)-1-(3-diethoxyphosphorylpropyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(cyclopropylmethyl)-1-(3-diethoxyphosphorylpropyl)-3-methyl-purine-2,6-dione CAS Name: 7-(cyclopropylmethyl)-1-(3-diethoxyphosphorylpropyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(cyclopropylmethyl)-1-(3-diethoxyphosphorylpropyl)-3-methylpurine-2,6-dione Traditional Name: 7-(cyclopropylmethyl)-1-(3-diethoxyphosphorylpropyl)-3-methyl-xanthine Formula: C17H27N4O5P MolecularWeight: 398.393841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCN1C(=O)C2=C(N=CN2CC3CC3)N(C1=O)C)OCC

Isomeric SMILES

CCOP(=O)(CCCN1C(=O)C2=C(N=CN2CC3CC3)N(C1=O)C)OCC

InChI

InChI=1S/C17H27N4O5P/c1-4-25-27(24,26-5-2)10-6-9-21-16(22)14-15(19(3)17(21)23)18-12-20(14)11-13-7-8-13/h12-13H,4-11H2,1-3H3