1,3-dibutyl-7-(2,5-dimethylphenyl)sulfonyl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-(2,5-dimethylphenyl)sulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(2,5-dimethylphenyl)sulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-(2,5-dimethylphenyl)sulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(2,5-dimethylphenyl)sulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-(2,5-dimethylphenyl)sulfonyl-xanthine Formula: C21H28N4O4S MolecularWeight: 432.53642

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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-5-7-11-23-19-18(20(26)24(21(23)27)12-8-6-2)25(14-22-19)30(28,29)17-13-15(3)9-10-16(17)4/h9-10,13-14H,5-8,11-12H2,1-4H3