8-(2-ethoxyphenyl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-ethoxyphenyl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(2-ethoxyphenyl)-7-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 8-(2-ethoxyphenyl)-7-(2-oxolanylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(2-ethoxyphenyl)-7-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-o-phenetyl-7-(tetrahydrofurfuryl)xanthine Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC3=C(N2CC4CCCO4)C(=O)NC(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC3=C(N2CC4CCCO4)C(=O)NC(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O4/c1-2-32-20-13-7-6-12-19(20)22-26-23-21(28(22)16-18-11-8-14-33-18)24(30)27-25(31)29(23)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,27,30,31)