Analyte Name

tert-Butyl-7-[4-(4-fluorophenyl)-6-isopropyl-2-aminopyrimidin-5-yl]-(3R,5S)-isopropylidene-(E)-6-heptenoate

CAS Number

1448436-04-1

Molecular Formula

C27H36FN3O4

Molecular Weight

485.59

Accurate Mass

485.269

SMILES

CC(C)c1nc(N)nc(c1\C=C\[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)c3ccc(F)cc3

InChI

InChI=1S/C27H36FN3O4/c1-16(2)23-21(24(31-25(29)30-23)17-8-10-18(28)11-9-17)13-12-19-14-20(34-27(6,7)33-19)15-22(32)35-26(3,4)5/h8-13,16,19-20H,14-15H2,1-7H3,(H2,29,30,31)/b13-12+/t19-,20-/m1/s1

IUPAC

tert-butyl 2-[(4R,6S)-6-[(E)-2-[2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat