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

Systemtic Name: 1-[2-(4-ethoxyphenoxy)ethyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-[2-(4-ethoxyphenoxy)ethyl]-7-(2-methoxyethyl)xanthine Formula: C25H28N4O5 MolecularWeight: 464.51362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O5/c1-3-33-20-9-11-21(12-10-20)34-16-14-28-24(30)22-23(26-18-27(22)13-15-32-2)29(25(28)31)17-19-7-5-4-6-8-19/h4-12,18H,3,13-17H2,1-2H3