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

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

Systemtic Name:3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-octyl-purine-2,6-dione
Openeye Name:3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-octyl-purine-2,6-dione
CAS Name:3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-octylpurine-2,6-dione
IUPAC Name:3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-octylpurine-2,6-dione
Traditional Name:3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-octyl-xanthine
Formula: C25H36N4O6S
MolecularWeight: 520.64154
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(N=CN2S(=O)(=O)C3=CC(=C(C=C3)OC)OC)N(C1=O)CCCC


Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(N=CN2S(=O)(=O)C3=CC(=C(C=C3)OC)OC)N(C1=O)CCCC


InChI

InChI=1S/C25H36N4O6S/c1-5-7-9-10-11-12-16-28-24(30)22-23(27(25(28)31)15-8-6-2)26-18-29(22)36(32,33)19-13-14-20(34-3)21(17-19)35-4/h13-14,17-18H,5-12,15-16H2,1-4H3


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