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

Systemtic Name: 1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)purine-2,6-dione CAS Name: 1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(4-diethoxyphosphorylbutyl)-7-(ethoxymethyl)xanthine Formula: C23H33N4O6P MolecularWeight: 492.505081

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCCCP(=O)(OCC)OCC

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCCCP(=O)(OCC)OCC

InChI

InChI=1S/C23H33N4O6P/c1-4-31-18-25-17-24-21-20(25)22(28)26(14-10-11-15-34(30,32-5-2)33-6-3)23(29)27(21)16-19-12-8-7-9-13-19/h7-9,12-13,17H,4-6,10-11,14-16,18H2,1-3H3