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

Systemtic Name: 3-butyl-8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-(3-ethoxy-4-isobutoxy-phenyl)-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-(3-ethoxy-4-isobutoxy-phenyl)-7-ethyl-xanthine Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC(C)C)OCC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC(C)C)OCC)CC

InChI

InChI=1S/C23H32N4O4/c1-6-9-12-27-21-19(22(28)25-23(27)29)26(7-2)20(24-21)16-10-11-17(31-14-15(4)5)18(13-16)30-8-3/h10-11,13,15H,6-9,12,14H2,1-5H3,(H,25,28,29)