1-[2-(2-ethanoylphenoxy)ethyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1-[2-(2-ethanoylphenoxy)ethyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 1-[2-(2-acetylphenoxy)ethyl]-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[2-(2-acetylphenoxy)ethyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[2-(2-acetylphenoxy)ethyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 1-[2-(2-acetylphenoxy)ethyl]-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3C(=O)C)N(C=N2)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3C(=O)C)N(C=N2)CCOC

InChI

InChI=1S/C22H28N4O5/c1-15(2)13-26-20-19(24(14-23-20)9-11-30-4)21(28)25(22(26)29)10-12-31-18-8-6-5-7-17(18)16(3)27/h5-8,14-15H,9-13H2,1-4H3