7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-D]pyrimidin-4-amine (Q27456231)

7-[cis-3-(1-Azetidinylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (English)

19 October 2016

chemical formula

C₂₇H₂₉N₅O

1 reference

stated in

RCSB protein data bank

PDB ligand ID

66A

16 February 2021

canonical SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)C=3C4=C(N(C3)C5CC(C5)CN6CCC6)N=CN=C4N

1 reference

7-[cis-3-(1-Azetidinylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (English)

19 October 2016

isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)C=3C4=C(N(C3)[C@H]5C[C@H](C5)CN6CCC6)N=CN=C4N

1 reference

7-[cis-3-(1-Azetidinylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (English)

InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)/t20-,22+

19 October 2016

Identifiers

InChI

1 reference

7-[cis-3-(1-Azetidinylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (English)

AECDBHGVIIRMOI-GRGXKFILSA-N

19 October 2016

InChIKey

1 reference

CAS (formerly Chemical Abstracts Service)

7-[cis-3-(1-Azetidinylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (English)

19 October 2016

1 reference

25 January 2022

1 reference

7-[cis-3-(1-Azetidinylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (English)

19 October 2016

0 references

0 references

1 reference

5HZN (English)