3-butyl-1-(cyclobutylmethyl)-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-(cyclobutylmethyl)-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione Openeye Name: 3-butyl-1-(cyclobutylmethyl)-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione CAS Name: 3-butyl-1-(cyclobutylmethyl)-7-(3,4-dimethoxyphenyl)sulfonylpurine-2,6-dione IUPAC Name: 3-butyl-1-(cyclobutylmethyl)-7-(3,4-dimethoxyphenyl)sulfonylpurine-2,6-dione Traditional Name: 3-butyl-1-(cyclobutylmethyl)-7-(3,4-dimethoxyphenyl)sulfonyl-xanthine Formula: C22H28N4O6S MolecularWeight: 476.54592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3CCC3)N(C=N2)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3CCC3)N(C=N2)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H28N4O6S/c1-4-5-11-24-20-19(21(27)25(22(24)28)13-15-7-6-8-15)26(14-23-20)33(29,30)16-9-10-17(31-2)18(12-16)32-3/h9-10,12,14-15H,4-8,11,13H2,1-3H3