1,3-dibutyl-7-[4-(trifluoromethyloxy)phenyl]sulfonyl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-[4-(trifluoromethyloxy)phenyl]sulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-[4-(trifluoromethoxy)phenyl]sulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-[4-(trifluoromethoxy)phenyl]sulfonyl-xanthine Formula: C20H23F3N4O5S MolecularWeight: 488.48063

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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)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H23F3N4O5S/c1-3-5-11-25-17-16(18(28)26(19(25)29)12-6-4-2)27(13-24-17)33(30,31)15-9-7-14(8-10-15)32-20(21,22)23/h7-10,13H,3-6,11-12H2,1-2H3