Chemical Compound

4-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid hemihydrate

CAS Registry Number 80206-91-3
4-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid hemihydrate 结构式
Primary record

4-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid hemihydrate

库存
6,245 克
纯度
98.8 %
CAS
80206-91-3

化合物标识与属性

CAS
80206-91-3
PubChem CID
18528136
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O.O
Canonical SMILES
Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(C)c1=O.O

名称与同义词

  • 8-Pspt
  • D0X7AZ
  • 8-SPT
  • 8-(p-Sulfophenyl)theophylline hydrate
  • MLS000859938
  • CHEMBL1697922
  • C13H14N4O6S
  • HMS2230M12
  • HMS3373H03
  • MFCD00545717
  • AKOS024360233
  • SMR000326799
  • 8-(p-Sulfophenyl)theophylline hydrate, solid
  • ST50990065
  • 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid;hydrate
  • SPT
  • 4-(1,3-dimethyl-2,6-dioxo-1,3-dihydropurin-8-yl)benzenesulfonic acid, hydrate
  • 4-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid hemihydrate
  • 80206-91-3