Analyte Name

1-(3-(((2R,3S,4R,5R)-5-(4-aminopyrrolo(2,3-d)pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl)methyl-propan-2-ylamino)propyl)-3-(4-tert-butylphenyl)urea

CAS Number

1338466-77-5

Molecular Formula

C28 H41 N7 O4

Molecular Weight

539.67

Accurate Mass

539.322

SMILES

CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3ccc4c(N)ncnc34

InChI

InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1

IUPAC

1-[3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat