1-[2-(4-ethoxyphenoxy)ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(4-ethoxyphenoxy)ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-ethyl-xanthine Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)OCC

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=C(C=C4)OCC

InChI

InChI=1S/C24H26N4O4/c1-3-26-17-25-22-21(26)23(29)27(24(30)28(22)16-18-8-6-5-7-9-18)14-15-32-20-12-10-19(11-13-20)31-4-2/h5-13,17H,3-4,14-16H2,1-2H3