8-Cyclopentylsulfanyl-1,3-Dimethyl-7H-Purine-2,6-Dione
[CAS# 74039-72-8]

Identification

• Name: 8-Cyclopentylsulfanyl-1,3-Dimethyl-7H-Purine-2,6-Dione
• Synonyms: 8-(Cyclopentylthio)-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-(Cyclopentylthio)-1,3-Dimethyl-7H-Purine-2,6-Quinone; 8-Cyclopentylthiotheophylline
• Molecular Formula: C₁₂H₁₆N₄O₂S
• Molecular Weight: 280.34
• CAS Registry Number: 74039-72-8
• SMILES: CN3C1=C([NH]C(=N1)SC2CCCC2)C(N(C3=O)C)=O
• InChI: 1S/C12H16N4O2S/c1-15-9-8(10(17)16(2)12(15)18)13-11(14-9)19-7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
• InChIKey: MEMVDDHMDYKKGA-UHFFFAOYSA-N