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

Systemtic Name: 1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-xanthine Formula: C21H28N4O6S MolecularWeight: 464.53522

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O6S/c1-5-7-11-23-19-18(20(26)24(21(23)27)12-8-6-2)25(14-22-19)32(28,29)15-9-10-16(30-3)17(13-15)31-4/h9-10,13-14H,5-8,11-12H2,1-4H3