Analyte Name

(2-chloro-4-phenoxyphenyl)-(4-(((3R,6S)-6-(hydroxymethyl)oxan-3-yl)amino)-7H-pyrrolo(2,3-d)pyrimidin-5-yl)methanone

CAS Number

2095393-15-8

Molecular Formula

C25 H23 Cl N4 O4

Molecular Weight

478.928

Accurate Mass

478.141

SMILES

OC[C@@H]1CC[C@H](CO1)Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23

InChI

InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1

IUPAC

(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat