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1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-purine-2,6-dione

1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-purine-2,6-dione

Systemtic Name:1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-purine-2,6-dione
Openeye Name:1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-purine-2,6-dione
CAS Name:1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-8-methylpurine-2,6-dione
IUPAC Name:1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-8-methylpurine-2,6-dione
Traditional Name:1,3-dibutyl-7-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-xanthine
Formula: C22H30N4O6S
MolecularWeight: 478.5618
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H30N4O6S/c1-6-8-12-24-20-19(21(27)25(22(24)28)13-9-7-2)26(15(3)23-20)33(29,30)16-10-11-17(31-4)18(14-16)32-5/h10-11,14H,6-9,12-13H2,1-5H3


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