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

Systemtic Name: 7-(cyclopropylmethyl)-1-(5-diethoxyphosphorylpentyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(cyclopropylmethyl)-1-(5-diethoxyphosphorylpentyl)-3-methyl-purine-2,6-dione CAS Name: 7-(cyclopropylmethyl)-1-(5-diethoxyphosphorylpentyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(cyclopropylmethyl)-1-(5-diethoxyphosphorylpentyl)-3-methylpurine-2,6-dione Traditional Name: 7-(cyclopropylmethyl)-1-(5-diethoxyphosphorylpentyl)-3-methyl-xanthine Formula: C19H31N4O5P MolecularWeight: 426.447001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCCN1C(=O)C2=C(N=CN2CC3CC3)N(C1=O)C)OCC

Isomeric SMILES

CCOP(=O)(CCCCCN1C(=O)C2=C(N=CN2CC3CC3)N(C1=O)C)OCC

InChI

InChI=1S/C19H31N4O5P/c1-4-27-29(26,28-5-2)12-8-6-7-11-23-18(24)16-17(21(3)19(23)25)20-14-22(16)13-15-9-10-15/h14-15H,4-13H2,1-3H3