1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one (Q27460569)

CID71660644 (English)

19 October 2016

chemical formula

C₂₂H₂₈N₈O₂S

1 reference

CID71660644 (English)

19 October 2016

canonical SMILES

CCC(=O)N1CCC(C1)NC2=NC(=CC(=N2)NC3=NC4=C(S3)N=CC=C4)CN5CCOCC5

1 reference

CID71660644 (English)

19 October 2016

isomeric SMILES

CCC(=O)N1CC[C@@H](C1)NC2=NC(=CC(=N2)NC3=NC4=C(S3)N=CC=C4)CN5CCOCC5

1 reference

CID71660644 (English)

InChI=1S/C22H28N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h3-4,6,12,15H,2,5,7-11,13-14H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CID71660644 (English)

JSHRNKDQLCOTRI-HNNXBMFYSA-N

19 October 2016

InChIKey

1 reference

CID71660644 (English)

19 October 2016

1 reference

1-[(3S)-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}-1-pyrrolidinyl]-1-propanone (English)

19 October 2016

1 reference

CID71660644 (English)

19 October 2016

1 reference

1 reference

4KIO (English)