5-Amino-3-[2-[4-[2,4-difluoro-5-[2-(methylsulfinyl)ethoxy]phenyl]-1-piperazinyl]ethyl]-8-(2-furanyl)thiazolo[5,4-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-one

Analyte Name

(±)-Inupadenant

CAS Number

2246607-06-5

Molecular Formula

C25 H26 F2 N8 O4 S2

Molecular Weight

604.652

Accurate Mass

604.149

SMILES

CS(=O)CCOc1cc(N2CCN(CCN3C(=O)Sc4c3nc(N)n5nc(nc45)c6occc6)CC2)c(F)cc1F

InChI

InChI=1S/C25H26F2N8O4S2/c1-41(37)12-11-39-19-14-17(15(26)13-16(19)27)33-7-4-32(5-8-33)6-9-34-22-20(40-25(34)36)23-29-21(18-3-2-10-38-18)31-35(23)24(28)30-22/h2-3,10,13-14H,4-9,11-12H2,1H3,(H2,28,30)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat