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

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

Systemtic Name:1,3-dibutyl-7-(4-methoxyphenyl)sulfonyl-purine-2,6-dione
Openeye Name:1,3-dibutyl-7-(4-methoxyphenyl)sulfonyl-purine-2,6-dione
CAS Name:1,3-dibutyl-7-(4-methoxyphenyl)sulfonylpurine-2,6-dione
IUPAC Name:1,3-dibutyl-7-(4-methoxyphenyl)sulfonylpurine-2,6-dione
Traditional Name:1,3-dibutyl-7-(4-methoxyphenyl)sulfonyl-xanthine
Formula: C20H26N4O5S
MolecularWeight: 434.50924
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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


Isomeric SMILES

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


InChI

InChI=1S/C20H26N4O5S/c1-4-6-12-22-18-17(19(25)23(20(22)26)13-7-5-2)24(14-21-18)30(27,28)16-10-8-15(29-3)9-11-16/h8-11,14H,4-7,12-13H2,1-3H3


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