Analyte Name

((4-(7-(2-(4-Chlorophenoxy)ethyl)-2-(methylamino)-6-oxo-6,7-dihydro-3H-purin-8-yl)phenyl)difluoromethyl)phosphonic Acid

CAS Number

1373822-46-8

Molecular Formula

C21 H19 Cl F2 N5 O5 P

Molecular Weight

525.83

Accurate Mass

525.078

SMILES

CNC1=NC(=O)c2c(N1)nc(c3ccc(cc3)C(F)(F)P(=O)(O)O)n2CCOc4ccc(Cl)cc4

InChI

InChI=1S/C21H19ClF2N5O5P/c1-25-20-27-17-16(19(30)28-20)29(10-11-34-15-8-6-14(22)7-9-15)18(26-17)12-2-4-13(5-3-12)21(23,24)35(31,32)33/h2-9H,10-11H2,1H3,(H2,31,32,33)(H2,25,27,28,30)

IUPAC

[[4-[7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-3H-purin-8-yl]phenyl]-difluoromethyl]phosphonic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat