8-Chloro-2-phenyl-3-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]ethyl]-1(2H)-isoquinolinone

CAS Registry Number®

1350643-73-0
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CAS Name

8-Chloro-2-phenyl-3-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]ethyl]-1(2H)-isoquinolinone

Molecular Formula

C27H25ClN6O2

Molecular Mass

500.98

Cite this Page

8-Chloro-2-phenyl-3-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]ethyl]-1(2H)-isoquinolinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1350643-73-0 (retrieved 2024-07-08) (CAS RN: 1350643-73-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H25ClN6O2/c1-17(32-25-24-26(30-15-29-25)33(16-31-24)22-12-5-6-13-36-22)21-14-18-8-7-11-20(28)23(18)27(35)34(21)19-9-3-2-4-10-19/h2-4,7-11,14-17,22H,5-6,12-13H2,1H3,(H,29,30,32)/t17-,22?/m0/s1

InChIKey

InChIKey=PJQUELCFJJXYHV-LBOXEOMUSA-N

SMILES

N([C@@H](C)C=1N(C(=O)C=2C(C1)=CC=CC2Cl)C3=CC=CC=C3)C4=C5C(N(C=N5)C6CCCCO6)=NC=N4

Canonical SMILES

O=C1C=2C(Cl)=CC=CC2C=C(N1C=3C=CC=CC3)C(NC4=NC=NC5=C4N=CN5C6OCCCC6)C

Other Names for this Substance

  • 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]ethyl]-
  • 8-Chloro-2-phenyl-3-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]ethyl]-1(2H)-isoquinolinone