8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(3-ethoxy-4-isobutoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(3-ethoxy-4-isobutoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC(C)C)OCC)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC(C)C)OCC)CCOC

InChI

InChI=1S/C23H32N4O5/c1-6-10-27-21-19(22(28)25-23(27)29)26(11-12-30-5)20(24-21)16-8-9-17(32-14-15(3)4)18(13-16)31-7-2/h8-9,13,15H,6-7,10-12,14H2,1-5H3,(H,25,28,29)