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

Systemtic Name: 1,3-dibutyl-7-(2,4,6-trimethylphenyl)sulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(2,4,6-trimethylphenyl)sulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-(2,4,6-trimethylphenyl)sulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(2,4,6-trimethylphenyl)sulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-mesitylsulfonyl-xanthine Formula: C22H30N4O4S MolecularWeight: 446.563

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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=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C22H30N4O4S/c1-6-8-10-24-20-18(21(27)25(22(24)28)11-9-7-2)26(14-23-20)31(29,30)19-16(4)12-15(3)13-17(19)5/h12-14H,6-11H2,1-5H3