5-Fluoro-3-phenyl-2-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]propyl]-4(3H)-quinazolinone

CAS Registry Number®

1453810-71-3

CAS Name

5-Fluoro-3-phenyl-2-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]propyl]-4(3H)-quinazolinone

Molecular Formula

C27H26FN7O2

Molecular Mass

499.54

Cite this Page

5-Fluoro-3-phenyl-2-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]propyl]-4(3H)-quinazolinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1453810-71-3 (retrieved 2024-11-22) (CAS RN: 1453810-71-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-199 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H26FN7O2/c1-2-19(32-24-23-26(30-15-29-24)34(16-31-23)21-13-6-7-14-37-21)25-33-20-12-8-11-18(28)22(20)27(36)35(25)17-9-4-3-5-10-17/h3-5,8-12,15-16,19,21H,2,6-7,13-14H2,1H3,(H,29,30,32)/t19-,21?/m0/s1

InChIKey

InChIKey=GFKORMSDKZQBMQ-ZQRQZVKFSA-N

SMILES

[C@H](NC1=C2C(N(C=N2)C3CCCCO3)=NC=N1)(CC)C=4N(C(=O)C=5C(N4)=CC=CC5F)C6=CC=CC=C6

Canonical SMILES

O=C1C=2C(F)=CC=CC2N=C(N1C=3C=CC=CC3)C(NC4=NC=NC5=C4N=CN5C6OCCCC6)CC

Other Names for this Substance

  • 4(3H)-Quinazolinone, 5-fluoro-3-phenyl-2-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]propyl]-
  • 5-Fluoro-3-phenyl-2-[(1S)-1-[[9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl]amino]propyl]-4(3H)-quinazolinone
  • N6-[(S)-1-(5-Fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl]-9-(tetrahydro-2H-pyran-2-yl)adenine
  • 5-Fluoro-3-phenyl-2((1S)-1-((9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)propyl)-quinazolin-4(3H)-one

CAS INSIGHTSTM
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