3-butyl-7-ethyl-8-[[4-(phenylcarbonyl)phenoxy]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[4-(phenylcarbonyl)phenoxy]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzoylphenoxy)methyl]-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-[(4-benzoylphenoxy)methyl]-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-[(4-benzoylphenoxy)methyl]-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-[(4-benzoylphenoxy)methyl]-3-butyl-7-ethyl-xanthine Formula: C25H26N4O4 MolecularWeight: 446.49834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)CC

InChI

InChI=1S/C25H26N4O4/c1-3-5-15-29-23-21(24(31)27-25(29)32)28(4-2)20(26-23)16-33-19-13-11-18(12-14-19)22(30)17-9-7-6-8-10-17/h6-14H,3-5,15-16H2,1-2H3,(H,27,31,32)