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

Systemtic Name: 1,3-dibutyl-7-(4-diethoxyphosphorylbutyl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(4-diethoxyphosphorylbutyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(4-diethoxyphosphorylbutyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(4-diethoxyphosphorylbutyl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(4-diethoxyphosphorylbutyl)xanthine Formula: C21H37N4O5P MolecularWeight: 456.516041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N4O5P/c1-5-9-14-24-19-18(20(26)25(21(24)27)15-10-6-2)23(17-22-19)13-11-12-16-31(28,29-7-3)30-8-4/h17H,5-16H2,1-4H3