3-butyl-8-(3-ethoxy-4-propoxy-phenyl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(3-ethoxy-4-propoxy-phenyl)-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-(3-ethoxy-4-propoxy-phenyl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-(3-ethoxy-4-propoxyphenyl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(3-ethoxy-4-propoxyphenyl)-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-(3-ethoxy-4-propoxy-phenyl)-7-methyl-xanthine Formula: C21H28N4O4 MolecularWeight: 400.47142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-5-8-11-25-19-17(20(26)23-21(25)27)24(4)18(22-19)14-9-10-15(29-12-6-2)16(13-14)28-7-3/h9-10,13H,5-8,11-12H2,1-4H3,(H,23,26,27)