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

Systemtic Name: 7-(4-diethoxyphosphorylbutyl)-3-methyl-1-(3-methylbutyl)purine-2,6-dione Openeye Name: 7-(4-diethoxyphosphorylbutyl)-1-isopentyl-3-methyl-purine-2,6-dione CAS Name: 7-(4-diethoxyphosphorylbutyl)-3-methyl-1-(3-methylbutyl)purine-2,6-dione IUPAC Name: 7-(4-diethoxyphosphorylbutyl)-3-methyl-1-(3-methylbutyl)purine-2,6-dione Traditional Name: 7-(4-diethoxyphosphorylbutyl)-1-isoamyl-3-methyl-xanthine Formula: C19H33N4O5P MolecularWeight: 428.462881

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(C)C)OCC

Isomeric SMILES

CCOP(=O)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(C)C)OCC

InChI

InChI=1S/C19H33N4O5P/c1-6-27-29(26,28-7-2)13-9-8-11-22-14-20-17-16(22)18(24)23(12-10-15(3)4)19(25)21(17)5/h14-15H,6-13H2,1-5H3