Analyte Name

1-[5-tert-butyl-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]pyrazol-3-yl]-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

Molecular Formula

C29 D7 H22 N7 O3 S

Molecular Weight

562.694

Accurate Mass

562.249

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1n2nc(cc2NC(=O)Nc3ccc(Oc4ccnc5NC(=O)C=Nc45)cc3SC)C(C)(C)C)C([2H])([2H])[2H]

InChI

InChI=1S/C29H29N7O3S/c1-17-6-8-18(9-7-17)36-24(15-23(35-36)29(2,3)4)33-28(38)32-20-11-10-19(14-22(20)40-5)39-21-12-13-30-27-26(21)31-16-25(37)34-27/h6-16H,1-5H3,(H,30,34,37)(H2,32,33,38)/i1D3,6D,7D,8D,9D

IUPAC

1-[5-tert-butyl-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]pyrazol-3-yl]-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

Unlabelled CAS Number

1163719-51-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat