7-(4-butoxyphenyl)sulfonyl-1,3-dibutyl-purine-2,6-dione

Systemtic Name: 7-(4-butoxyphenyl)sulfonyl-1,3-dibutyl-purine-2,6-dione Openeye Name: 7-(4-butoxyphenyl)sulfonyl-1,3-dibutyl-purine-2,6-dione CAS Name: 7-(4-butoxyphenyl)sulfonyl-1,3-dibutylpurine-2,6-dione IUPAC Name: 7-(4-butoxyphenyl)sulfonyl-1,3-dibutylpurine-2,6-dione Traditional Name: 7-(4-butoxyphenyl)sulfonyl-1,3-dibutyl-xanthine Formula: C23H32N4O5S MolecularWeight: 476.58898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C23H32N4O5S/c1-4-7-14-25-21-20(22(28)26(23(25)29)15-8-5-2)27(17-24-21)33(30,31)19-12-10-18(11-13-19)32-16-9-6-3/h10-13,17H,4-9,14-16H2,1-3H3