1-(5-diethoxyphosphoryl-5-methyl-hexyl)-7-(ethoxymethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 1-(5-diethoxyphosphoryl-5-methyl-hexyl)-7-(ethoxymethyl)-3-methyl-purine-2,6-dione Openeye Name: 1-(5-diethoxyphosphoryl-5-methyl-hexyl)-7-(ethoxymethyl)-3-methyl-purine-2,6-dione CAS Name: 1-(5-diethoxyphosphoryl-5-methylhexyl)-7-(ethoxymethyl)-3-methylpurine-2,6-dione IUPAC Name: 1-(5-diethoxyphosphoryl-5-methylhexyl)-7-(ethoxymethyl)-3-methylpurine-2,6-dione Traditional Name: 1-(5-diethoxyphosphoryl-5-methyl-hexyl)-7-(ethoxymethyl)-3-methyl-xanthine Formula: C20H35N4O6P MolecularWeight: 458.488861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)P(=O)(OCC)OCC

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)P(=O)(OCC)OCC

InChI

InChI=1S/C20H35N4O6P/c1-7-28-15-23-14-21-17-16(23)18(25)24(19(26)22(17)6)13-11-10-12-20(4,5)31(27,29-8-2)30-9-3/h14H,7-13,15H2,1-6H3