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

Systemtic Name: 3-butyl-8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-(3-ethoxy-4-isobutoxy-phenyl)-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-ethoxy-4-(2-methylpropoxy)phenyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-(3-ethoxy-4-isobutoxy-phenyl)xanthine Formula: C26H38N4O4 MolecularWeight: 470.60432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC(C)C)OCC)N(C(=O)NC2=O)CCCC

Isomeric SMILES

CCCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC(C)C)OCC)N(C(=O)NC2=O)CCCC

InChI

InChI=1S/C26H38N4O4/c1-6-9-11-15-29-22-24(30(14-10-7-2)26(32)28-25(22)31)27-23(29)19-12-13-20(34-17-18(4)5)21(16-19)33-8-3/h12-13,16,18H,6-11,14-15,17H2,1-5H3,(H,28,31,32)