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

Systemtic Name: 1,3-dibutyl-7-(5-diethoxyphosphorylpentyl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(5-diethoxyphosphorylpentyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(5-diethoxyphosphorylpentyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(5-diethoxyphosphorylpentyl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(5-diethoxyphosphorylpentyl)xanthine Formula: C22H39N4O5P MolecularWeight: 470.542621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CCCCCP(=O)(OCC)OCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CCCCCP(=O)(OCC)OCC

InChI

InChI=1S/C22H39N4O5P/c1-5-9-15-25-20-19(21(27)26(22(25)28)16-10-6-2)24(18-23-20)14-12-11-13-17-32(29,30-7-3)31-8-4/h18H,5-17H2,1-4H3